N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

C18H29ClN2 — CID 114848840

IUPACN-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCN(c2ccc(Cl)cc2CNCC(C)C)CC1
InChIInChI=1S/C18H29ClN2/c1-4-15-7-9-21(10-8-15)18-6-5-17(19)11-16(18)13-20-12-14(2)3/h5-6,11,14-15,20H,4,7-10,12-13H2,1-3H3
InChIKeyOTCVVRGGHNGAHI-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.71
Rot. Bonds6

About N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 114848840) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID114848840
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC NameN-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCN(c2ccc(Cl)cc2CNCC(C)C)CC1
InChIInChI=1S/C18H29ClN2/c1-4-15-7-9-21(10-8-15)18-6-5-17(19)11-16(18)13-20-12-14(2)3/h5-6,11,14-15,20H,4,7-10,12-13H2,1-3H3
InChIKeyOTCVVRGGHNGAHI-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine 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

[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 114847856
1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851678
N-[[5-chloro-2-(2-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114848665
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114926217
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
1-[1-[4-chloro-2-(ethylaminomethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 114853256
N-[[5-chloro-2-(3-ethylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114848465
N-[[5-chloro-2-(4-methylpiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 114847203
N-[[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 114849185
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499393
[4-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methanol
CID 114845335

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine (CID 114848840) is N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is CCC1CCN(c2ccc(Cl)cc2CNCC(C)C)CC1.
What is the InChIKey of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OTCVVRGGHNGAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-15-7-9-21(10-8-15)18-6-5-17(19)11-16(18)13-20-12-14(2)3/h5-6,11,14-15,20H,4,7-10,12-13H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-ethylpiperidin-1-yl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114848840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).