N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine

C24H33NO — CID 12779941

IUPACN-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCC(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H33NO/c1-19(17-20-13-15-23(26-2)16-14-20)25-18-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-6,9-10,13-16,19,22,24-25H,4,7-8,11-12,17-18H2,1-2H3
InChIKeyFUMNVHCGJLULAQ-UHFFFAOYSA-N
MW351.53 g/mol
LogP5.58
Rot. Bonds8

About N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine

N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine (PubChem CID 12779941) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine
PubChem CID12779941
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC NameN-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)NCC(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C24H33NO/c1-19(17-20-13-15-23(26-2)16-14-20)25-18-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-6,9-10,13-16,19,22,24-25H,4,7-8,11-12,17-18H2,1-2H3
InChIKeyFUMNVHCGJLULAQ-UHFFFAOYSA-N
XLogP5.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
1-cyclohexyl-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63476458
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
N-[cyclohexyl(phenyl)methyl]-3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 67118786
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]-2-methylpropan-1-amine
CID 82262403
2-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 64928817
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine?
The IUPAC name of N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine (CID 12779941) is N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)NCC(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine?
The InChIKey is FUMNVHCGJLULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-19(17-20-13-15-23(26-2)16-14-20)25-18-24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3,5-6,9-10,13-16,19,22,24-25H,4,7-8,11-12,17-18H2,1-2H3.
What are the key properties of N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine?
N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine has a molecular weight of 351.53 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-phenylethyl)-1-(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 12779941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).