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

C17H28N2 — CID 61239803

IUPACN-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCCN1CCCCCC1
InChIInChI=1S/C17H28N2/c1-15-9-5-6-10-17(15)16(2)18-11-14-19-12-7-3-4-8-13-19/h5-6,9-10,16,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyZAXUASHSOHUOEQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.52
Rot. Bonds5

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

N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine (PubChem CID 61239803) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
PubChem CID61239803
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCCN1CCCCCC1
InChIInChI=1S/C17H28N2/c1-15-9-5-6-10-17(15)16(2)18-11-14-19-12-7-3-4-8-13-19/h5-6,9-10,16,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyZAXUASHSOHUOEQ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
1-[4-[2-[1-(2-methylphenyl)ethylamino]ethyl]piperazin-1-yl]ethanone
CID 75382751
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43181599
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
1-(5-methylfuran-2-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60698146
(1R)-1-(2-methylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81374023
1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800
N-[2-(azepan-1-yl)ethyl]-1-(2,4-dibromophenyl)ethanamine
CID 63454032

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine (CID 61239803) is N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)NCCN1CCCCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is ZAXUASHSOHUOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-9-5-6-10-17(15)16(2)18-11-14-19-12-7-3-4-8-13-19/h5-6,9-10,16,18H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine?
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.52, 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-methylphenyl)ethanamine is sourced from PubChem (CID 61239803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).