4-[(1R)-1-phenylpropyl]aniline

C15H17N — CID 164669947

IUPAC4-[(1R)-1-phenylpropyl]aniline
SMILESCC[C@H](c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C15H17N/c1-2-15(12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,15H,2,16H2,1H3/t15-/m1/s1
InChIKeyACJNBEYMDZFEPU-OAHLLOKOSA-N
MW211.31 g/mol
LogP3.81
Rot. Bonds3

About 4-[(1R)-1-phenylpropyl]aniline

4-[(1R)-1-phenylpropyl]aniline (PubChem CID 164669947) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-[(1R)-1-phenylpropyl]aniline.

Molecular Properties

Compound Name4-[(1R)-1-phenylpropyl]aniline
PubChem CID164669947
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-[(1R)-1-phenylpropyl]aniline
SMILESCC[C@H](c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C15H17N/c1-2-15(12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,15H,2,16H2,1H3/t15-/m1/s1
InChIKeyACJNBEYMDZFEPU-OAHLLOKOSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(1R)-1-phenylpropyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[4-[1-[4-[1-(4-aminophenyl)pentyl]phenyl]propyl]phenyl]pentyl]aniline
CID 22919318
4-(1-phenylpropyl)benzene-1,3-diamine
CID 19849951
4-[1-[4-[1-[4-[1-(4-aminophenyl)propyl]phenyl]decyl]phenyl]propyl]aniline
CID 22919612
phenylmethanamine;1-phenylpropylbenzene
CID 19985231
4-[2-(4-aminophenyl)-1,2-diphenylethyl]aniline
CID 123960089
4-[1-(4-aminophenyl)propyl]benzenesulfinic acid
CID 175079041
oxalic acid;1-phenylpropylbenzene
CID 67824543
4-[(3R,4R)-4-(4-aminophenyl)hexan-3-yl]aniline
CID 6990315
4-[1-(4-aminophenyl)propyl]aniline;azane;benzene-1,2-diamine;4-methyl-4-phenylcyclohexa-2,5-diene-1,1-diamine
CID 175320142
4-methyl-6-(1-phenylpropyl)benzene-1,3-diamine
CID 19849896
4-[1-[4-[1-[4-[1-(4-aminophenyl)butyl]phenyl]pentyl]phenyl]butyl]aniline
CID 22919933
4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
CID 28902579

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-phenylpropyl]aniline?
The IUPAC name of 4-[(1R)-1-phenylpropyl]aniline (CID 164669947) is 4-[(1R)-1-phenylpropyl]aniline.
What is the SMILES notation for 4-[(1R)-1-phenylpropyl]aniline?
The canonical SMILES for 4-[(1R)-1-phenylpropyl]aniline is CC[C@H](c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-[(1R)-1-phenylpropyl]aniline?
The InChIKey is ACJNBEYMDZFEPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N/c1-2-15(12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,15H,2,16H2,1H3/t15-/m1/s1.
What are the key properties of 4-[(1R)-1-phenylpropyl]aniline?
4-[(1R)-1-phenylpropyl]aniline has a molecular weight of 211.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-phenylpropyl]aniline is sourced from PubChem (CID 164669947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).