4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol

C29H35NO2 — CID 70256391

IUPAC4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol
SMILESOC(CCCc1ccccc1)NC1CCC(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C29H35NO2/c31-29(13-7-12-23-8-3-1-4-9-23)30-27-18-14-25(15-19-27)26-16-20-28(21-17-26)32-22-24-10-5-2-6-11-24/h1-6,8-11,16-17,20-21,25,27,29-31H,7,12-15,18-19,22H2
InChIKeyRUVVPODNXPXHRQ-UHFFFAOYSA-N
MW429.60 g/mol
LogP6.22
Rot. Bonds10

About 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol

4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol (PubChem CID 70256391) has the molecular formula C29H35NO2 and a molecular weight of 429.60 g/mol. Its IUPAC name is 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol
PubChem CID70256391
Molecular FormulaC29H35NO2
Molecular Weight429.60 g/mol
Exact Mass429.27
IUPAC Name4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol
SMILESOC(CCCc1ccccc1)NC1CCC(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C29H35NO2/c31-29(13-7-12-23-8-3-1-4-9-23)30-27-18-14-25(15-19-27)26-16-20-28(21-17-26)32-22-24-10-5-2-6-11-24/h1-6,8-11,16-17,20-21,25,27,29-31H,7,12-15,18-19,22H2
InChIKeyRUVVPODNXPXHRQ-UHFFFAOYSA-N
XLogP6.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine
CID 21260497
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol
CID 143710483
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
N-[(4-cyclohexylphenyl)methyl]-4-phenylmethoxyaniline
CID 90023157
1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
CID 79980245
1-[2-[3-(4-phenylcyclohexyl)propyl]-4-phenylmethoxyphenyl]propan-1-ol
CID 70218876

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol?
The IUPAC name of 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol (CID 70256391) is 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol.
What is the SMILES notation for 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol?
The canonical SMILES for 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol is OC(CCCc1ccccc1)NC1CCC(c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol?
The InChIKey is RUVVPODNXPXHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO2/c31-29(13-7-12-23-8-3-1-4-9-23)30-27-18-14-25(15-19-27)26-16-20-28(21-17-26)32-22-24-10-5-2-6-11-24/h1-6,8-11,16-17,20-21,25,27,29-31H,7,12-15,18-19,22H2.
What are the key properties of 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol?
4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol has a molecular weight of 429.60 g/mol, XLogP of 6.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol is sourced from PubChem (CID 70256391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).