(2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine

C25H29FN2 — CID 58779394

IUPAC(2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine
SMILESCC(N[C@H]1CCCCC1NCc1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H29FN2/c1-18(22-10-6-8-20-7-2-3-9-23(20)22)28-25-12-5-4-11-24(25)27-17-19-13-15-21(26)16-14-19/h2-3,6-10,13-16,18,24-25,27-28H,4-5,11-12,17H2,1H3/t18?,24?,25-/m0/s1
InChIKeyBZOPSZCKDNGJGF-VHNLKAGOSA-N
MW376.52 g/mol
LogP5.73
Rot. Bonds6

About (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine

(2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine (PubChem CID 58779394) has the molecular formula C25H29FN2 and a molecular weight of 376.52 g/mol. Its IUPAC name is (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine
PubChem CID58779394
Molecular FormulaC25H29FN2
Molecular Weight376.52 g/mol
Exact Mass376.23
IUPAC Name(2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine
SMILESCC(N[C@H]1CCCCC1NCc1ccc(F)cc1)c1cccc2ccccc12
InChIInChI=1S/C25H29FN2/c1-18(22-10-6-8-20-7-2-3-9-23(20)22)28-25-12-5-4-11-24(25)27-17-19-13-15-21(26)16-14-19/h2-3,6-10,13-16,18,24-25,27-28H,4-5,11-12,17H2,1H3/t18?,24?,25-/m0/s1
InChIKeyBZOPSZCKDNGJGF-VHNLKAGOSA-N
XLogP5.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine?
The IUPAC name of (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine (CID 58779394) is (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine is CC(N[C@H]1CCCCC1NCc1ccc(F)cc1)c1cccc2ccccc12.
What is the InChIKey of (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine?
The InChIKey is BZOPSZCKDNGJGF-VHNLKAGOSA-N. The full InChI is InChI=1S/C25H29FN2/c1-18(22-10-6-8-20-7-2-3-9-23(20)22)28-25-12-5-4-11-24(25)27-17-19-13-15-21(26)16-14-19/h2-3,6-10,13-16,18,24-25,27-28H,4-5,11-12,17H2,1H3/t18?,24?,25-/m0/s1.
What are the key properties of (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine?
(2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine has a molecular weight of 376.52 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[(4-fluorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 58779394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).