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

C16H16Cl3N — CID 43497693

IUPACN-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl3N/c1-2-8-20-16(11-4-3-5-12(17)9-11)14-10-13(18)6-7-15(14)19/h3-7,9-10,16,20H,2,8H2,1H3
InChIKeyQYYNDWQOJGYLKC-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.74
Rot. Bonds5

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

N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine (PubChem CID 43497693) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
PubChem CID43497693
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC NameN-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl3N/c1-2-8-20-16(11-4-3-5-12(17)9-11)14-10-13(18)6-7-15(14)19/h3-7,9-10,16,20H,2,8H2,1H3
InChIKeyQYYNDWQOJGYLKC-UHFFFAOYSA-N
XLogP5.74
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 ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine (CID 43497693) is N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is QYYNDWQOJGYLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-2-8-20-16(11-4-3-5-12(17)9-11)14-10-13(18)6-7-15(14)19/h3-7,9-10,16,20H,2,8H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 328.67 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43497693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).