1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol

C18H29NO2 — CID 62313548

IUPAC1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
SMILESCc1cccc(CCNCC(O)COC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-15-6-5-7-16(12-15)10-11-19-13-17(20)14-21-18-8-3-2-4-9-18/h5-7,12,17-20H,2-4,8-11,13-14H2,1H3
InChIKeyGDFZWRCWNHMUSQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.84
Rot. Bonds8

About 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol

1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol (PubChem CID 62313548) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
PubChem CID62313548
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
SMILESCc1cccc(CCNCC(O)COC2CCCCC2)c1
InChIInChI=1S/C18H29NO2/c1-15-6-5-7-16(12-15)10-11-19-13-17(20)14-21-18-8-3-2-4-9-18/h5-7,12,17-20H,2-4,8-11,13-14H2,1H3
InChIKeyGDFZWRCWNHMUSQ-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyloxy-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729329
1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 79748980
1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 62314096
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
(2S)-1-[2-(3-methoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol
CID 97356530
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]benzonitrile
CID 60918103
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 117068425
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
CID 55219712
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol (CID 62313548) is 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol is Cc1cccc(CCNCC(O)COC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The InChIKey is GDFZWRCWNHMUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-6-5-7-16(12-15)10-11-19-13-17(20)14-21-18-8-3-2-4-9-18/h5-7,12,17-20H,2-4,8-11,13-14H2,1H3.
What are the key properties of 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol?
1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 62313548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).