N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine

C16H17Cl2N — CID 134812598

IUPACN-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)c(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-2-8-19-11-12-9-14(17)16(15(18)10-12)13-6-4-3-5-7-13/h3-7,9-10,19H,2,8,11H2,1H3
InChIKeySGQYRPGELGNGRJ-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.16
Rot. Bonds5

About N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine

N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine (PubChem CID 134812598) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine
PubChem CID134812598
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)c(-c2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-2-8-19-11-12-9-14(17)16(15(18)10-12)13-6-4-3-5-7-13/h3-7,9-10,19H,2,8,11H2,1H3
InChIKeySGQYRPGELGNGRJ-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2,4,6-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350076
N-[[3-(2,3,5,6-tetrachlorophenyl)phenyl]methyl]propan-1-amine
CID 63424827
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[[2-chloro-4-(2,4,6-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350036
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17157638
N-[[3-(3-chlorothiophen-2-yl)phenyl]methyl]propan-1-amine
CID 107360611
N-[[3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63424520
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
N-[[5-chloro-6-(2-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297479
N-[[3-chloro-4-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 65365864
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine (CID 134812598) is N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine is CCCNCc1cc(Cl)c(-c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine?
The InChIKey is SGQYRPGELGNGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-2-8-19-11-12-9-14(17)16(15(18)10-12)13-6-4-3-5-7-13/h3-7,9-10,19H,2,8,11H2,1H3.
What are the key properties of N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine?
N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-phenylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 134812598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).