2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine

C16H16Cl3N — CID 65318331

IUPAC2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Cl)c1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl3N/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2
InChIKeyLVNWDCQGKHIBLR-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.01
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine

2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine (PubChem CID 65318331) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
PubChem CID65318331
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Cl)c1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl3N/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2
InChIKeyLVNWDCQGKHIBLR-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496703
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
2-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-1,4-dichlorobenzene
CID 66047927
2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496159
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-[(3-chlorophenyl)methyl]-3-cyclopentylpropan-1-amine
CID 63497587
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
CID 102940409
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine (CID 65318331) is 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine is NCC(Cc1cccc(Cl)c1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine?
The InChIKey is LVNWDCQGKHIBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-9-15(18)4-5-16(13)19/h1-5,8-9,12H,6-7,10,20H2.
What are the key properties of 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine?
2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine has a molecular weight of 328.67 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 65318331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).