[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol

C15H24N2O2 — CID 126515280

IUPAC[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol
SMILESCOC(O)c1ccc(N[C@@H]2CCCC[C@H]2C)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-10-5-3-4-6-13(10)17-14-8-7-11(9-12(14)16)15(18)19-2/h7-10,13,15,17-18H,3-6,16H2,1-2H3/t10-,13-,15?/m1/s1
InChIKeyKRPZOSOFWUYVFL-BAOLWLNASA-N
MW264.37 g/mol
LogP2.90
Rot. Bonds4

About [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol

[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol (PubChem CID 126515280) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol.

Molecular Properties

Compound Name[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol
PubChem CID126515280
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol
SMILESCOC(O)c1ccc(N[C@@H]2CCCC[C@H]2C)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-10-5-3-4-6-13(10)17-14-8-7-11(9-12(14)16)15(18)19-2/h7-10,13,15,17-18H,3-6,16H2,1-2H3/t10-,13-,15?/m1/s1
InChIKeyKRPZOSOFWUYVFL-BAOLWLNASA-N
XLogP2.90
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285
methyl 4-amino-3-[(2-methylcyclohexyl)amino]benzoate
CID 82784954
methyl 3-amino-4-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 61305643
3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 63277953
1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
4-methyl-2-[(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 62307855
4-methoxy-2-methyl-N-(2-methylcyclopentyl)aniline
CID 65045492
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389
3-chloro-4-[(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 55181997
2,6-dimethyl-3-[(2-methylcyclohexyl)amino]phenol
CID 43741722
4-bromo-5-fluoro-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 66109766

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol?
The IUPAC name of [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol (CID 126515280) is [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol.
What is the SMILES notation for [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol?
The canonical SMILES for [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol is COC(O)c1ccc(N[C@@H]2CCCC[C@H]2C)c(N)c1.
What is the InChIKey of [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol?
The InChIKey is KRPZOSOFWUYVFL-BAOLWLNASA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-5-3-4-6-13(10)17-14-8-7-11(9-12(14)16)15(18)19-2/h7-10,13,15,17-18H,3-6,16H2,1-2H3/t10-,13-,15?/m1/s1.
What are the key properties of [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol?
[3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol has a molecular weight of 264.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-[[(1R,2R)-2-methylcyclohexyl]amino]phenyl]-methoxymethanol is sourced from PubChem (CID 126515280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).