N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine

C18H30N2 — CID 61240183

IUPACN-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCCN2CCCCCC2)c1
InChIInChI=1S/C18H30N2/c1-15-8-9-16(2)18(14-15)17(3)19-10-13-20-11-6-4-5-7-12-20/h8-9,14,17,19H,4-7,10-13H2,1-3H3
InChIKeyALVUITFVWDEOJI-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.83
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine

N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine (PubChem CID 61240183) 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-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
PubChem CID61240183
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(C)NCCN2CCCCCC2)c1
InChIInChI=1S/C18H30N2/c1-15-8-9-16(2)18(14-15)17(3)19-10-13-20-11-6-4-5-7-12-20/h8-9,14,17,19H,4-7,10-13H2,1-3H3
InChIKeyALVUITFVWDEOJI-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 63454032
4-methyl-2-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenol
CID 104582416
1-(2,5-difluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203398
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694801
N-(2-thiomorpholin-4-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 103783303

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine (CID 61240183) is N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(C)NCCN2CCCCCC2)c1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine?
The InChIKey is ALVUITFVWDEOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-8-9-16(2)18(14-15)17(3)19-10-13-20-11-6-4-5-7-12-20/h8-9,14,17,19H,4-7,10-13H2,1-3H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine?
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.83, 5 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-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 61240183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).