1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine

C16H16Cl3N — CID 43677587

IUPAC1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c1-11(9-12-5-7-14(17)8-6-12)20-10-13-3-2-4-15(18)16(13)19/h2-8,11,20H,9-10H2,1H3
InChIKeyCUSMZXDPUFWEHM-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.37
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine

1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine (PubChem CID 43677587) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
PubChem CID43677587
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
SMILESCC(Cc1ccc(Cl)cc1)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c1-11(9-12-5-7-14(17)8-6-12)20-10-13-3-2-4-15(18)16(13)19/h2-8,11,20H,9-10H2,1H3
InChIKeyCUSMZXDPUFWEHM-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 63462744
N-[(2-chloro-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 115982845
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
CID 43746669
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 66159290
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 43434316
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
1-chloro-N-[(2,3-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 107310019
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine (CID 43677587) is 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine is CC(Cc1ccc(Cl)cc1)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine?
The InChIKey is CUSMZXDPUFWEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-11(9-12-5-7-14(17)8-6-12)20-10-13-3-2-4-15(18)16(13)19/h2-8,11,20H,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine?
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine has a molecular weight of 328.67 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 43677587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).