N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine

C30H37NO — CID 21260497

IUPACN-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine
SMILESCCN(CCCc1ccccc1)C1CCC(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C30H37NO/c1-2-31(23-9-14-25-10-5-3-6-11-25)29-19-15-27(16-20-29)28-17-21-30(22-18-28)32-24-26-12-7-4-8-13-26/h3-8,10-13,17-18,21-22,27,29H,2,9,14-16,19-20,23-24H2,1H3
InChIKeyMAMKSYAHSGQVNB-UHFFFAOYSA-N
MW427.63 g/mol
LogP7.25
Rot. Bonds10

About N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine

N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine (PubChem CID 21260497) has the molecular formula C30H37NO and a molecular weight of 427.63 g/mol. Its IUPAC name is N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine
PubChem CID21260497
Molecular FormulaC30H37NO
Molecular Weight427.63 g/mol
Exact Mass427.29
IUPAC NameN-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine
SMILESCCN(CCCc1ccccc1)C1CCC(c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C30H37NO/c1-2-31(23-9-14-25-10-5-3-6-11-25)29-19-15-27(16-20-29)28-17-21-30(22-18-28)32-24-26-12-7-4-8-13-26/h3-8,10-13,17-18,21-22,27,29H,2,9,14-16,19-20,23-24H2,1H3
InChIKeyMAMKSYAHSGQVNB-UHFFFAOYSA-N
XLogP7.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.63
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
4-phenyl-1-[[4-(4-phenylmethoxyphenyl)cyclohexyl]amino]butan-1-ol
CID 70256391
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233061
1-phenylmethoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 58660419
N,N,N'-triethyl-N'-(4-phenylcyclohexyl)ethane-1,2-diamine
CID 2053830
2-amino-4-[4-[ethyl(3-phenylpropyl)amino]cyclohexyl]-3-methylphenol
CID 174447370
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
benzyl 4-(4-phenylmethoxyphenyl)cyclohexane-1-carboxylate
CID 18655707
N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 89197006
1-methoxy-4-[[4-(4-methylcyclohexyl)phenyl]methoxy]benzene
CID 118595910
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine (CID 21260497) is N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine is CCN(CCCc1ccccc1)C1CCC(c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine?
The InChIKey is MAMKSYAHSGQVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO/c1-2-31(23-9-14-25-10-5-3-6-11-25)29-19-15-27(16-20-29)28-17-21-30(22-18-28)32-24-26-12-7-4-8-13-26/h3-8,10-13,17-18,21-22,27,29H,2,9,14-16,19-20,23-24H2,1H3.
What are the key properties of N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine?
N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine has a molecular weight of 427.63 g/mol, XLogP of 7.25, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-phenylmethoxyphenyl)-N-(3-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 21260497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).