4-methyl-2-(3-phenylpropyl)aniline

C16H19N — CID 67787992

IUPAC4-methyl-2-(3-phenylpropyl)aniline
SMILESCc1ccc(N)c(CCCc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-13-10-11-16(17)15(12-13)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,17H2,1H3
InChIKeyOMSNNHOKEVTGPS-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.75
Rot. Bonds4

About 4-methyl-2-(3-phenylpropyl)aniline

4-methyl-2-(3-phenylpropyl)aniline (PubChem CID 67787992) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-methyl-2-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name4-methyl-2-(3-phenylpropyl)aniline
PubChem CID67787992
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name4-methyl-2-(3-phenylpropyl)aniline
SMILESCc1ccc(N)c(CCCc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-13-10-11-16(17)15(12-13)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,17H2,1H3
InChIKeyOMSNNHOKEVTGPS-UHFFFAOYSA-N
XLogP3.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(3-phenylpropyl)aniline
CID 58164408
3-(2-amino-5-methylphenyl)propan-1-ol
CID 58554503
2-[(dibenzylamino)methyl]-4-methylaniline
CID 130159961
2-[(benzylamino)methyl]-4-methylaniline
CID 12628937
3-(2-amino-5-methylphenyl)propanoic acid
CID 83852984
3-(2-benzyl-4-methylphenyl)propan-1-amine
CID 141412375
N-[(5-methyl-2-nitrophenyl)methyl]-2-phenylethanamine;4-methyl-2-[(2-phenylethylamino)methyl]aniline
CID 161111304
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-phenylpropyl)aniline?
The IUPAC name of 4-methyl-2-(3-phenylpropyl)aniline (CID 67787992) is 4-methyl-2-(3-phenylpropyl)aniline.
What is the SMILES notation for 4-methyl-2-(3-phenylpropyl)aniline?
The canonical SMILES for 4-methyl-2-(3-phenylpropyl)aniline is Cc1ccc(N)c(CCCc2ccccc2)c1.
What is the InChIKey of 4-methyl-2-(3-phenylpropyl)aniline?
The InChIKey is OMSNNHOKEVTGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13-10-11-16(17)15(12-13)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9,17H2,1H3.
What are the key properties of 4-methyl-2-(3-phenylpropyl)aniline?
4-methyl-2-(3-phenylpropyl)aniline has a molecular weight of 225.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-phenylpropyl)aniline is sourced from PubChem (CID 67787992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).