[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine

C17H28N2 — CID 104690285

IUPAC[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
SMILESCCC1CCCCCN1CCc1ccccc1CN
InChIInChI=1S/C17H28N2/c1-2-17-10-4-3-7-12-19(17)13-11-15-8-5-6-9-16(15)14-18/h5-6,8-9,17H,2-4,7,10-14,18H2,1H3
InChIKeyGOELIXNSHQQXLH-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.34
Rot. Bonds5

About [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine

[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine (PubChem CID 104690285) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
PubChem CID104690285
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
SMILESCCC1CCCCCN1CCc1ccccc1CN
InChIInChI=1S/C17H28N2/c1-2-17-10-4-3-7-12-19(17)13-11-15-8-5-6-9-16(15)14-18/h5-6,8-9,17H,2-4,7,10-14,18H2,1H3
InChIKeyGOELIXNSHQQXLH-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
4-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104688951
[2-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688934
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 81322590
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
CID 104689093
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine
CID 81314851
3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
[2-(2-ethylazepan-1-yl)sulfonylphenyl]methanamine
CID 104689604
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
[2-[2-(3-ethylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 113417886

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine (CID 104690285) is [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine is CCC1CCCCCN1CCc1ccccc1CN.
What is the InChIKey of [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine?
The InChIKey is GOELIXNSHQQXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-17-10-4-3-7-12-19(17)13-11-15-8-5-6-9-16(15)14-18/h5-6,8-9,17H,2-4,7,10-14,18H2,1H3.
What are the key properties of [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine?
[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine has a molecular weight of 260.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 104690285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).