N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine

C20H24ClF3N2 — CID 44534637

IUPACN-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
SMILESFC(F)(F)c1cccc(CNCCCCCNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClF3N2/c21-19-9-7-16(8-10-19)14-25-11-2-1-3-12-26-15-17-5-4-6-18(13-17)20(22,23)24/h4-10,13,25-26H,1-3,11-12,14-15H2
InChIKeyOBBJGHSUFDLNFA-UHFFFAOYSA-N
MW384.87 g/mol
LogP5.41
Rot. Bonds10

About N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine

N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine (PubChem CID 44534637) has the molecular formula C20H24ClF3N2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
PubChem CID44534637
Molecular FormulaC20H24ClF3N2
Molecular Weight384.87 g/mol
Exact Mass384.16
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine
SMILESFC(F)(F)c1cccc(CNCCCCCNCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClF3N2/c21-19-9-7-16(8-10-19)14-25-11-2-1-3-12-26-15-17-5-4-6-18(13-17)20(22,23)24/h4-10,13,25-26H,1-3,11-12,14-15H2
InChIKeyOBBJGHSUFDLNFA-UHFFFAOYSA-N
XLogP5.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.87
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Norchlorcyclizine
CID 9340
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
Benzyl-(4-chloro-benzyl)-amine
CID 816344
1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 784405
N~1~,N~2~-bis(3-chlorobenzyl)-1,2-ethanediamine
CID 4356156
Norchlorcyclizine, (+)-
CID 6540880
{3-[Benzyl(methyl)amino]propyl}[(4-chlorophenyl)methyl]amine
CID 29048070
(2R)-4-(4-chlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 52514484
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 155523400
N-[(4-chlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 296048

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine (CID 44534637) is N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine is FC(F)(F)c1cccc(CNCCCCCNCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?
The InChIKey is OBBJGHSUFDLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClF3N2/c21-19-9-7-16(8-10-19)14-25-11-2-1-3-12-26-15-17-5-4-6-18(13-17)20(22,23)24/h4-10,13,25-26H,1-3,11-12,14-15H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine?
N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine has a molecular weight of 384.87 g/mol, XLogP of 5.41, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]pentane-1,5-diamine is sourced from PubChem (CID 44534637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).