2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone

C16H24N2O — CID 81322400

IUPAC2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
SMILESCC1CCCCCN1C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H24N2O/c1-13-7-3-2-6-10-18(13)16(19)11-14-8-4-5-9-15(14)12-17/h4-5,8-9,13H,2-3,6-7,10-12,17H2,1H3
InChIKeyMYFZBAQOKUJJLV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.48
Rot. Bonds3

About 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone

2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone (PubChem CID 81322400) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
PubChem CID81322400
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
SMILESCC1CCCCCN1C(=O)Cc1ccccc1CN
InChIInChI=1S/C16H24N2O/c1-13-7-3-2-6-10-18(13)16(19)11-14-8-4-5-9-15(14)12-17/h4-5,8-9,13H,2-3,6-7,10-12,17H2,1H3
InChIKeyMYFZBAQOKUJJLV-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634492
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 81322765
1-[2-[2-(aminomethyl)phenyl]acetyl]-6-methylpiperidine-3-carboxamide
CID 81312924
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
2-(2-ethoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 134503396
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone (CID 81322400) is 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone is CC1CCCCCN1C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone?
The InChIKey is MYFZBAQOKUJJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-7-3-2-6-10-18(13)16(19)11-14-8-4-5-9-15(14)12-17/h4-5,8-9,13H,2-3,6-7,10-12,17H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone?
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone is sourced from PubChem (CID 81322400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).