2,5-dichloro-N-(3-phenylpropyl)aniline

C15H15Cl2N — CID 29049060

IUPAC2,5-dichloro-N-(3-phenylpropyl)aniline
SMILESClc1ccc(Cl)c(NCCCc2ccccc2)c1
InChIInChI=1S/C15H15Cl2N/c16-13-8-9-14(17)15(11-13)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10H2
InChIKeySZWHCILEZAPSMY-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.04
Rot. Bonds5

About 2,5-dichloro-N-(3-phenylpropyl)aniline

2,5-dichloro-N-(3-phenylpropyl)aniline (PubChem CID 29049060) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(3-phenylpropyl)aniline
PubChem CID29049060
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name2,5-dichloro-N-(3-phenylpropyl)aniline
SMILESClc1ccc(Cl)c(NCCCc2ccccc2)c1
InChIInChI=1S/C15H15Cl2N/c16-13-8-9-14(17)15(11-13)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10H2
InChIKeySZWHCILEZAPSMY-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.04
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-chloro-5-fluoro-N-(4-phenylbutyl)aniline
CID 107528122
2-chloro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54944572
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497
2,4,5-trifluoro-N-(3-phenylpropyl)aniline
CID 55118204
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
2-fluoro-5-methyl-N-(3-phenylpropyl)aniline
CID 28877675
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
2,3-dichloro-N-(4-phenylbutyl)aniline
CID 114333166
5-chloro-N-[3-(2-chlorophenyl)propyl]-2-methylaniline
CID 54798681
3-bromo-5-chloro-2-ethoxy-N-(3-phenylpropyl)aniline
CID 43690682
N-(2,3-dichlorophenyl)-N'-(2,5-dichlorophenyl)ethane-1,2-diamine
CID 54809670
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-phenylpropyl)aniline?
The IUPAC name of 2,5-dichloro-N-(3-phenylpropyl)aniline (CID 29049060) is 2,5-dichloro-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(3-phenylpropyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(3-phenylpropyl)aniline is Clc1ccc(Cl)c(NCCCc2ccccc2)c1.
What is the InChIKey of 2,5-dichloro-N-(3-phenylpropyl)aniline?
The InChIKey is SZWHCILEZAPSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c16-13-8-9-14(17)15(11-13)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10H2.
What are the key properties of 2,5-dichloro-N-(3-phenylpropyl)aniline?
2,5-dichloro-N-(3-phenylpropyl)aniline has a molecular weight of 280.20 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 29049060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).