N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine

C17H26Cl2N2 — CID 63454562

IUPACN-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
SMILESCCC(NCCN1CCCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H26Cl2N2/c1-2-17(15-8-7-14(18)13-16(15)19)20-9-12-21-10-5-3-4-6-11-21/h7-8,13,17,20H,2-6,9-12H2,1H3
InChIKeyIBQMUXPLYTTYQC-UHFFFAOYSA-N
MW329.31 g/mol
LogP4.91
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine

N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine (PubChem CID 63454562) has the molecular formula C17H26Cl2N2 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
PubChem CID63454562
Molecular FormulaC17H26Cl2N2
Molecular Weight329.31 g/mol
Exact Mass328.15
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
SMILESCCC(NCCN1CCCCCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H26Cl2N2/c1-2-17(15-8-7-14(18)13-16(15)19)20-9-12-21-10-5-3-4-6-11-21/h7-8,13,17,20H,2-6,9-12H2,1H3
InChIKeyIBQMUXPLYTTYQC-UHFFFAOYSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)propan-1-amine
CID 63454306
1-(2,4-dichlorophenyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515230
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
1-(4-bromo-2-chlorophenyl)-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 82779326
3-[1-(2,4-dichlorophenyl)propylamino]-N,N-diethylpropanamide
CID 60926174
2,4-dichloro-N-(2-piperidin-1-ylethyl)aniline
CID 54806085
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
CID 65105429
N-[1-(2,4-dichlorophenyl)propyl]-2-methoxy-2-methylpropan-1-amine
CID 113450027

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine (CID 63454562) is N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine is CCC(NCCN1CCCCCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine?
The InChIKey is IBQMUXPLYTTYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2/c1-2-17(15-8-7-14(18)13-16(15)19)20-9-12-21-10-5-3-4-6-11-21/h7-8,13,17,20H,2-6,9-12H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine?
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine has a molecular weight of 329.31 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 63454562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).