1,5-dichloro-1,5-diphenylpentan-3-amine

C17H19Cl2N — CID 21153300

IUPAC1,5-dichloro-1,5-diphenylpentan-3-amine
SMILESNC(CC(Cl)c1ccccc1)CC(Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c18-16(13-7-3-1-4-8-13)11-15(20)12-17(19)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2
InChIKeyBEPCDLFQROHJIY-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.05
Rot. Bonds6

About 1,5-dichloro-1,5-diphenylpentan-3-amine

1,5-dichloro-1,5-diphenylpentan-3-amine (PubChem CID 21153300) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1,5-dichloro-1,5-diphenylpentan-3-amine.

Molecular Properties

Compound Name1,5-dichloro-1,5-diphenylpentan-3-amine
PubChem CID21153300
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1,5-dichloro-1,5-diphenylpentan-3-amine
SMILESNC(CC(Cl)c1ccccc1)CC(Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c18-16(13-7-3-1-4-8-13)11-15(20)12-17(19)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2
InChIKeyBEPCDLFQROHJIY-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-methyl-4-phenylbutan-2-yl)silane
CID 173111800
(2S)-2-chloro-N-[(2S)-2-chloro-2-phenylethyl]-N-methyl-2-phenylethanamine
CID 97292301
3-chloro-3-phenylpropanoic acid
CID 22742526
dichloromethylbenzene
CID 7411
1-chloro-3-(2-chloro-2-phenylethyl)benzene
CID 4737542
[(1R)-1-chloro-2-nitroethyl]benzene
CID 164680326
4-chloro-2-methyl-4-phenylbutan-2-ol
CID 174946431
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
(Chlorobenzyl)silane
CID 23051080
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
4-(2-chloro-2-phenylethyl)-1,2-dimethylbenzene
CID 50888148
3-amino-4-methoxy-1-phenylbutan-1-ol
CID 112704167

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-1,5-diphenylpentan-3-amine?
The IUPAC name of 1,5-dichloro-1,5-diphenylpentan-3-amine (CID 21153300) is 1,5-dichloro-1,5-diphenylpentan-3-amine.
What is the SMILES notation for 1,5-dichloro-1,5-diphenylpentan-3-amine?
The canonical SMILES for 1,5-dichloro-1,5-diphenylpentan-3-amine is NC(CC(Cl)c1ccccc1)CC(Cl)c1ccccc1.
What is the InChIKey of 1,5-dichloro-1,5-diphenylpentan-3-amine?
The InChIKey is BEPCDLFQROHJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c18-16(13-7-3-1-4-8-13)11-15(20)12-17(19)14-9-5-2-6-10-14/h1-10,15-17H,11-12,20H2.
What are the key properties of 1,5-dichloro-1,5-diphenylpentan-3-amine?
1,5-dichloro-1,5-diphenylpentan-3-amine has a molecular weight of 308.25 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-1,5-diphenylpentan-3-amine is sourced from PubChem (CID 21153300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).