1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone

C15H22N2O2 — CID 106119986

IUPAC1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(NCC2CCCC(O)C2)ccc1N
InChIInChI=1S/C15H22N2O2/c1-10(18)14-8-12(5-6-15(14)16)17-9-11-3-2-4-13(19)7-11/h5-6,8,11,13,17,19H,2-4,7,9,16H2,1H3
InChIKeyBPODTAXGTPOYLV-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.43
Rot. Bonds4

About 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone

1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone (PubChem CID 106119986) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
PubChem CID106119986
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(NCC2CCCC(O)C2)ccc1N
InChIInChI=1S/C15H22N2O2/c1-10(18)14-8-12(5-6-15(14)16)17-9-11-3-2-4-13(19)7-11/h5-6,8,11,13,17,19H,2-4,7,9,16H2,1H3
InChIKeyBPODTAXGTPOYLV-UHFFFAOYSA-N
XLogP2.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-(thian-4-ylmethylamino)phenyl]ethanone
CID 113487267
4-[(3-hydroxycyclohexyl)methylamino]-2-methylbenzoic acid
CID 106136559
1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
CID 104528374
1-[2-amino-5-(oxolan-2-ylmethylamino)phenyl]ethanone
CID 104612228
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106136822
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
CID 106119994
1-[2-amino-5-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182377
4-[(3-hydroxycyclohexyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103703448
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 106129728
3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide
CID 104612970

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone (CID 106119986) is 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone is CC(=O)c1cc(NCC2CCCC(O)C2)ccc1N.
What is the InChIKey of 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone?
The InChIKey is BPODTAXGTPOYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(18)14-8-12(5-6-15(14)16)17-9-11-3-2-4-13(19)7-11/h5-6,8,11,13,17,19H,2-4,7,9,16H2,1H3.
What are the key properties of 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone?
1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone is sourced from PubChem (CID 106119986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).