3,3-bis(4-chlorophenyl)propan-1-amine

C15H15Cl2N — CID 15014585

IUPAC3,3-bis(4-chlorophenyl)propan-1-amine
SMILESNCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2N/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
InChIKeyMRURTURGILYXJC-UHFFFAOYSA-N
MW280.20 g/mol
LogP4.47
Rot. Bonds4

About 3,3-bis(4-chlorophenyl)propan-1-amine

3,3-bis(4-chlorophenyl)propan-1-amine (PubChem CID 15014585) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 3,3-bis(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3,3-bis(4-chlorophenyl)propan-1-amine
PubChem CID15014585
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name3,3-bis(4-chlorophenyl)propan-1-amine
SMILESNCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2N/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2
InChIKeyMRURTURGILYXJC-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
3-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-amine
CID 154175040
(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
3,3-diphenylpropan-1-amine;hydron;chloride
CID 74764483
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
2-chloro-2-(4-chlorophenyl)ethanamine
CID 10702822
3-naphthalen-2-yl-3-phenylpropan-1-amine
CID 67204664
2-(4-chlorophenyl)-2-(2-fluorophenyl)ethanamine
CID 82023285
3-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)propan-1-amine
CID 82091891
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-chlorophenyl)propan-1-amine?
The IUPAC name of 3,3-bis(4-chlorophenyl)propan-1-amine (CID 15014585) is 3,3-bis(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3,3-bis(4-chlorophenyl)propan-1-amine?
The canonical SMILES for 3,3-bis(4-chlorophenyl)propan-1-amine is NCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3,3-bis(4-chlorophenyl)propan-1-amine?
The InChIKey is MRURTURGILYXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-8,15H,9-10,18H2.
What are the key properties of 3,3-bis(4-chlorophenyl)propan-1-amine?
3,3-bis(4-chlorophenyl)propan-1-amine has a molecular weight of 280.20 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 15014585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).