[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol

C18H29NO2 — CID 62708979

IUPAC[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
SMILESCCOc1ccc(NC2CCC(C(C)C)CC2)cc1CO
InChIInChI=1S/C18H29NO2/c1-4-21-18-10-9-17(11-15(18)12-20)19-16-7-5-14(6-8-16)13(2)3/h9-11,13-14,16,19-20H,4-8,12H2,1-3H3
InChIKeyYSAMZCZFUIWLBA-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.20
Rot. Bonds6

About [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol

[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol (PubChem CID 62708979) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
PubChem CID62708979
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
SMILESCCOc1ccc(NC2CCC(C(C)C)CC2)cc1CO
InChIInChI=1S/C18H29NO2/c1-4-21-18-10-9-17(11-15(18)12-20)19-16-7-5-14(6-8-16)13(2)3/h9-11,13-14,16,19-20H,4-8,12H2,1-3H3
InChIKeyYSAMZCZFUIWLBA-UHFFFAOYSA-N
XLogP4.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
CID 64500267
[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
CID 79730547
N-cyclopropyl-2-[4-ethoxy-3-(hydroxymethyl)anilino]propanamide
CID 111629887
[5-(cyclopentylamino)-2-methoxyphenyl]methanol
CID 115744113
[5-[[cyclopropyl(phenyl)methyl]amino]-2-ethoxyphenyl]methanol
CID 110902815
[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
CID 79860686
N-(3,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087618
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
[2-ethoxy-5-(3-propan-2-ylazetidin-1-yl)phenyl]methanol
CID 104549192
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
CID 64851150
4-(3-ethoxy-4-methoxyanilino)cyclohexan-1-ol
CID 106594039

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol (CID 62708979) is [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol is CCOc1ccc(NC2CCC(C(C)C)CC2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol?
The InChIKey is YSAMZCZFUIWLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-21-18-10-9-17(11-15(18)12-20)19-16-7-5-14(6-8-16)13(2)3/h9-11,13-14,16,19-20H,4-8,12H2,1-3H3.
What are the key properties of [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol?
[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol has a molecular weight of 291.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol is sourced from PubChem (CID 62708979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).