N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine

C24H34N2 — CID 142271322

IUPACN-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine
SMILESCCC(NCC1CCC(CNC)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H34N2/c1-3-23(21-10-6-4-7-11-21)26-18-20-14-16-24(17-15-20,19-25-2)22-12-8-5-9-13-22/h4-13,20,23,25-26H,3,14-19H2,1-2H3
InChIKeyFDGIBQHJSWRNMJ-UHFFFAOYSA-N
MW350.55 g/mol
LogP5.07
Rot. Bonds8

About N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine

N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine (PubChem CID 142271322) has the molecular formula C24H34N2 and a molecular weight of 350.55 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine
PubChem CID142271322
Molecular FormulaC24H34N2
Molecular Weight350.55 g/mol
Exact Mass350.27
IUPAC NameN-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine
SMILESCCC(NCC1CCC(CNC)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H34N2/c1-3-23(21-10-6-4-7-11-21)26-18-20-14-16-24(17-15-20,19-25-2)22-12-8-5-9-13-22/h4-13,20,23,25-26H,3,14-19H2,1-2H3
InChIKeyFDGIBQHJSWRNMJ-UHFFFAOYSA-N
XLogP5.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
1-phenyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 61206975
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
N-[(4-ethylcyclohexyl)methyl]-1-(4-fluorophenyl)propan-1-amine
CID 63451652
1-(3-fluoro-1-phenylcyclobutyl)-N-methylmethanamine
CID 105447374
N-[(4-ethylcyclohexyl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871425
3-[(1-methylpiperidin-4-yl)methylamino]-3-phenylpropanenitrile
CID 55117440
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine (CID 142271322) is N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine is CCC(NCC1CCC(CNC)(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine?
The InChIKey is FDGIBQHJSWRNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2/c1-3-23(21-10-6-4-7-11-21)26-18-20-14-16-24(17-15-20,19-25-2)22-12-8-5-9-13-22/h4-13,20,23,25-26H,3,14-19H2,1-2H3.
What are the key properties of N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine?
N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine has a molecular weight of 350.55 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)-4-phenylcyclohexyl]methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 142271322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).