[4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol

C15H22N2O3 — CID 61446253

IUPAC[4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol
SMILESCC1CCCC(N(C)c2ccc(CO)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H22N2O3/c1-11-4-3-5-13(8-11)16(2)14-7-6-12(10-18)9-15(14)17(19)20/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyYBHKCERJYQPBBR-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.10
Rot. Bonds4

About [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol

[4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol (PubChem CID 61446253) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol
PubChem CID61446253
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol
SMILESCC1CCCC(N(C)c2ccc(CO)cc2[N+](=O)[O-])C1
InChIInChI=1S/C15H22N2O3/c1-11-4-3-5-13(8-11)16(2)14-7-6-12(10-18)9-15(14)17(19)20/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3
InChIKeyYBHKCERJYQPBBR-UHFFFAOYSA-N
XLogP3.10
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-nitrophenyl]methanol
CID 28963539
[3-chloro-4-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 81151401
[4-[cyclobutylmethyl(methyl)amino]-3-nitrophenyl]methanol
CID 62860086
[4-(3-methylcyclohexyl)sulfanyl-3-nitrophenyl]methanol
CID 63835691
[4-[cyclopropylmethyl(methyl)amino]-3-nitrophenyl]methanol
CID 54884212
[4-[cyclopropyl(cyclopropylmethyl)amino]-3-nitrophenyl]methanol
CID 64520389
4-bromo-N-cyclobutyl-N-methyl-2-nitroaniline
CID 115658423
[5-chloro-2-[methyl-(3-methylcyclohexyl)amino]phenyl]methanol
CID 114845376
2-[4-(hydroxymethyl)-N-methyl-2-nitroanilino]-2-methylpropan-1-ol
CID 113475850
1-[4-[cycloheptyl(methyl)amino]-3-nitrophenyl]ethanone
CID 43614140
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566
[4-[butyl(methyl)amino]-3-nitrophenyl]methanol
CID 28963485

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol?
The IUPAC name of [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol (CID 61446253) is [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol is CC1CCCC(N(C)c2ccc(CO)cc2[N+](=O)[O-])C1.
What is the InChIKey of [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol?
The InChIKey is YBHKCERJYQPBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-4-3-5-13(8-11)16(2)14-7-6-12(10-18)9-15(14)17(19)20/h6-7,9,11,13,18H,3-5,8,10H2,1-2H3.
What are the key properties of [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol?
[4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol has a molecular weight of 278.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(3-methylcyclohexyl)amino]-3-nitrophenyl]methanol is sourced from PubChem (CID 61446253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).