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

C18H29ClN2 — CID 133203082

IUPACN-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine
SMILESCCN1c2cc(Cl)c(CNC(C)C)cc2C(C)CC1(C)C
InChIInChI=1S/C18H29ClN2/c1-7-21-17-9-16(19)14(11-20-12(2)3)8-15(17)13(4)10-18(21,5)6/h8-9,12-13,20H,7,10-11H2,1-6H3
InChIKeyRTYWMSBGGKHQMS-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.95
Rot. Bonds4

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

N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine (PubChem CID 133203082) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine
PubChem CID133203082
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine
SMILESCCN1c2cc(Cl)c(CNC(C)C)cc2C(C)CC1(C)C
InChIInChI=1S/C18H29ClN2/c1-7-21-17-9-16(19)14(11-20-12(2)3)8-15(17)13(4)10-18(21,5)6/h8-9,12-13,20H,7,10-11H2,1-6H3
InChIKeyRTYWMSBGGKHQMS-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine (CID 133203082) is N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine is CCN1c2cc(Cl)c(CNC(C)C)cc2C(C)CC1(C)C.
What is the InChIKey of N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine?
The InChIKey is RTYWMSBGGKHQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-7-21-17-9-16(19)14(11-20-12(2)3)8-15(17)13(4)10-18(21,5)6/h8-9,12-13,20H,7,10-11H2,1-6H3.
What are the key properties of N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine?
N-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine 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-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methyl]propan-2-amine is sourced from PubChem (CID 133203082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).