[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone

C15H22N2O — CID 63622383

IUPAC[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C15H22N2O/c1-12-4-3-8-17(9-7-12)15(18)14-6-2-5-13(10-14)11-16/h2,5-6,10,12H,3-4,7-9,11,16H2,1H3
InChIKeyPUVJJQFRKVOKBJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.41
Rot. Bonds2

About [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone

[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone (PubChem CID 63622383) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
PubChem CID63622383
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C15H22N2O/c1-12-4-3-8-17(9-7-12)15(18)14-6-2-5-13(10-14)11-16/h2,5-6,10,12H,3-4,7-9,11,16H2,1H3
InChIKeyPUVJJQFRKVOKBJ-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
N-[[1-[3-(aminomethyl)benzoyl]piperidin-4-yl]methyl]acetamide
CID 102735859
(3-aminophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16778020
[3-(aminomethyl)phenyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199131
[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
[3-(3-hydroxyprop-1-ynyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63625131
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone (CID 63622383) is [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone is CC1CCCN(C(=O)c2cccc(CN)c2)CC1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone?
The InChIKey is PUVJJQFRKVOKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-4-3-8-17(9-7-12)15(18)14-6-2-5-13(10-14)11-16/h2,5-6,10,12H,3-4,7-9,11,16H2,1H3.
What are the key properties of [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone?
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 63622383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).