N-(3-phenylpropyl)aniline

C15H17N — CID 11735980

IUPACN-(3-phenylpropyl)aniline
SMILESc1ccc(CCCNc2ccccc2)cc1
InChIInChI=1S/C15H17N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-9,11-12,16H,7,10,13H2
InChIKeyTZHYFNJRLMHJCM-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.73
Rot. Bonds5

About N-(3-phenylpropyl)aniline

N-(3-phenylpropyl)aniline (PubChem CID 11735980) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(3-phenylpropyl)aniline.

Molecular Properties

Compound NameN-(3-phenylpropyl)aniline
PubChem CID11735980
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-(3-phenylpropyl)aniline
SMILESc1ccc(CCCNc2ccccc2)cc1
InChIInChI=1S/C15H17N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-9,11-12,16H,7,10,13H2
InChIKeyTZHYFNJRLMHJCM-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)aniline?
The IUPAC name of N-(3-phenylpropyl)aniline (CID 11735980) is N-(3-phenylpropyl)aniline.
What is the SMILES notation for N-(3-phenylpropyl)aniline?
The canonical SMILES for N-(3-phenylpropyl)aniline is c1ccc(CCCNc2ccccc2)cc1.
What is the InChIKey of N-(3-phenylpropyl)aniline?
The InChIKey is TZHYFNJRLMHJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-3-8-14(9-4-1)10-7-13-16-15-11-5-2-6-12-15/h1-6,8-9,11-12,16H,7,10,13H2.
What are the key properties of N-(3-phenylpropyl)aniline?
N-(3-phenylpropyl)aniline has a molecular weight of 211.31 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)aniline is sourced from PubChem (CID 11735980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).