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

C16H26N2 — CID 81321986

IUPAC[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
SMILESCC1CCCCCN1CCc1ccccc1CN
InChIInChI=1S/C16H26N2/c1-14-7-3-2-6-11-18(14)12-10-15-8-4-5-9-16(15)13-17/h4-5,8-9,14H,2-3,6-7,10-13,17H2,1H3
InChIKeyOWPVUYYCXBNZTO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.95
Rot. Bonds4

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

[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine (PubChem CID 81321986) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
PubChem CID81321986
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
SMILESCC1CCCCCN1CCc1ccccc1CN
InChIInChI=1S/C16H26N2/c1-14-7-3-2-6-11-18(14)12-10-15-8-4-5-9-16(15)13-17/h4-5,8-9,14H,2-3,6-7,10-13,17H2,1H3
InChIKeyOWPVUYYCXBNZTO-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(2-ethylazepan-1-yl)ethyl]phenyl]methanamine
CID 104690285
[2-[2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]phenyl]methanamine
CID 81314851
[2-[2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]phenyl]methanamine
CID 81322590
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496
[2-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]methanamine
CID 54882055
[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
1-[2-(2,5-difluorophenyl)ethyl]-2-methylpiperidine
CID 155721139
[2-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 15121448
(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
CID 176781027
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]phenyl]methanamine
CID 79924464

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine?
The IUPAC name of [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine (CID 81321986) is [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine?
The canonical SMILES for [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine is CC1CCCCCN1CCc1ccccc1CN.
What is the InChIKey of [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine?
The InChIKey is OWPVUYYCXBNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14-7-3-2-6-11-18(14)12-10-15-8-4-5-9-16(15)13-17/h4-5,8-9,14H,2-3,6-7,10-13,17H2,1H3.
What are the key properties of [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine?
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine is sourced from PubChem (CID 81321986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).