1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone

C15H22N2O — CID 59230003

IUPAC1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCC2CCC(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(18)13-4-8-15(9-5-13)17-10-12-2-6-14(16)7-3-12/h4-5,8-9,12,14,17H,2-3,6-7,10,16H2,1H3
InChIKeyBFSQOLKZULJCDR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.82
Rot. Bonds4

About 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone

1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone (PubChem CID 59230003) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
PubChem CID59230003
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1ccc(NCC2CCC(N)CC2)cc1
InChIInChI=1S/C15H22N2O/c1-11(18)13-4-8-15(9-5-13)17-10-12-2-6-14(16)7-3-12/h4-5,8-9,12,14,17H,2-3,6-7,10,16H2,1H3
InChIKeyBFSQOLKZULJCDR-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminocyclohexyl)methylamino]benzenethiol
CID 59230358
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
4-(cyclobutylmethylamino)benzamide
CID 65459398
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 59230186
N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide
CID 59230846
1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
CID 107419214
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
1-[4-(cyclopentylmethylamino)phenyl]propan-1-one
CID 114066650
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
1-[4-(thiolan-2-ylmethylamino)phenyl]ethanone
CID 114468322
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone (CID 59230003) is 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone is CC(=O)c1ccc(NCC2CCC(N)CC2)cc1.
What is the InChIKey of 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone?
The InChIKey is BFSQOLKZULJCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(18)13-4-8-15(9-5-13)17-10-12-2-6-14(16)7-3-12/h4-5,8-9,12,14,17H,2-3,6-7,10,16H2,1H3.
What are the key properties of 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone?
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 59230003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).