N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine

C18H30N2 — CID 61239798

IUPACN-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCCN2CCCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-17-8-10-18(11-9-17)16(2)19-12-15-20-13-6-4-5-7-14-20/h8-11,16,19H,3-7,12-15H2,1-2H3
InChIKeyYEZYICNIRBFBNS-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine

N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine (PubChem CID 61239798) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
PubChem CID61239798
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCCN2CCCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-3-17-8-10-18(11-9-17)16(2)19-12-15-20-13-6-4-5-7-14-20/h8-11,16,19H,3-7,12-15H2,1-2H3
InChIKeyYEZYICNIRBFBNS-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694801
1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-[(1R)-1-(4-bromophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657866
N-[2-(azepan-1-yl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 63466733
1-(4-ethylphenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60923581
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
N-(1-pyridin-4-ylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 43203851
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
1-(4-ethylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115720633
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine (CID 61239798) is N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCCN2CCCCCC2)cc1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine?
The InChIKey is YEZYICNIRBFBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-17-8-10-18(11-9-17)16(2)19-12-15-20-13-6-4-5-7-14-20/h8-11,16,19H,3-7,12-15H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine?
N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.78, 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-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 61239798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).