N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine

C21H27NO — CID 1378435

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine
SMILESCOc1ccc(CCNC2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO/c1-23-21-13-7-17(8-14-21)15-16-22-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-8,13-14,19-20,22H,9-12,15-16H2,1H3
InChIKeyZXDSEZJOSMBMRL-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.55
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine

N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine (PubChem CID 1378435) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine
PubChem CID1378435
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine
SMILESCOc1ccc(CCNC2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27NO/c1-23-21-13-7-17(8-14-21)15-16-22-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-8,13-14,19-20,22H,9-12,15-16H2,1H3
InChIKeyZXDSEZJOSMBMRL-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine (CID 1378435) is N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine is COc1ccc(CCNC2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine?
The InChIKey is ZXDSEZJOSMBMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-23-21-13-7-17(8-14-21)15-16-22-20-11-9-19(10-12-20)18-5-3-2-4-6-18/h2-8,13-14,19-20,22H,9-12,15-16H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine?
N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine has a molecular weight of 309.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 1378435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).