N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine

C18H29ClN2 — CID 125047352

IUPACN-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
SMILESCCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C
InChIInChI=1S/C18H29ClN2/c1-7-20-11-14-8-15-13(4)10-18(5,6)21(12(2)3)17(15)9-16(14)19/h8-9,12-13,20H,7,10-11H2,1-6H3/t13-/m1/s1
InChIKeyXYEARQRAVDNWER-CYBMUJFWSA-N
MW308.90 g/mol
LogP4.95
Rot. Bonds4

About N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine

N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine (PubChem CID 125047352) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
PubChem CID125047352
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
SMILESCCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C
InChIInChI=1S/C18H29ClN2/c1-7-20-11-14-8-15-13(4)10-18(5,6)21(12(2)3)17(15)9-16(14)19/h8-9,12-13,20H,7,10-11H2,1-6H3/t13-/m1/s1
InChIKeyXYEARQRAVDNWER-CYBMUJFWSA-N
XLogP4.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine
CID 133203082
N-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methyl]ethanamine
CID 133203039
N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047021
N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047278
2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carboxylic acid
CID 133202967
N-[[(4R)-1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl]methyl]propan-1-amine
CID 125047361
(4R)-7-fluoro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 125046149
7-methoxy-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinoline-6-carbonitrile
CID 133202957
2-chloro-4-methyl-N-[(E)-(2,2,4,7-tetramethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 133170688
methyl 2-(6-chloro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)pentanoate
CID 132650942
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 165438493
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 132675523

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine (CID 125047352) is N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine is CCNCc1cc2c(cc1Cl)N(C(C)C)C(C)(C)C[C@H]2C.
What is the InChIKey of N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
The InChIKey is XYEARQRAVDNWER-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-7-20-11-14-8-15-13(4)10-18(5,6)21(12(2)3)17(15)9-16(14)19/h8-9,12-13,20H,7,10-11H2,1-6H3/t13-/m1/s1.
What are the key properties of N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine?
N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine has a molecular weight of 308.90 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-7-chloro-2,2,4-trimethyl-1-propan-2-yl-3,4-dihydroquinolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 125047352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).