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

C16H17Cl2N — CID 30053289

IUPACN-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
SMILESClc1ccc(CNCCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c17-15-9-8-14(16(18)11-15)12-19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,19H,4,7,10,12H2
InChIKeyXGGURWMASGAHKR-UHFFFAOYSA-N
MW294.23 g/mol
LogP4.72
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine (PubChem CID 30053289) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
PubChem CID30053289
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
SMILESClc1ccc(CNCCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c17-15-9-8-14(16(18)11-15)12-19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,19H,4,7,10,12H2
InChIKeyXGGURWMASGAHKR-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.72
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

2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol
CID 29286269
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
N-[(2-chloro-3-fluorophenyl)methyl]-3-phenylpropan-1-amine
CID 112651869
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
CID 61237272
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
CID 66161236
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289861
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine (CID 30053289) is N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine is Clc1ccc(CNCCCc2ccccc2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine?
The InChIKey is XGGURWMASGAHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c17-15-9-8-14(16(18)11-15)12-19-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,19H,4,7,10,12H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 30053289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).