2-tert-butyl-N-(3-phenylpropyl)aniline

C19H25N — CID 39366741

IUPAC2-tert-butyl-N-(3-phenylpropyl)aniline
SMILESCC(C)(C)c1ccccc1NCCCc1ccccc1
InChIInChI=1S/C19H25N/c1-19(2,3)17-13-7-8-14-18(17)20-15-9-12-16-10-5-4-6-11-16/h4-8,10-11,13-14,20H,9,12,15H2,1-3H3
InChIKeyHQTVCTLGXDPXTQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.03
Rot. Bonds5

About 2-tert-butyl-N-(3-phenylpropyl)aniline

2-tert-butyl-N-(3-phenylpropyl)aniline (PubChem CID 39366741) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-tert-butyl-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(3-phenylpropyl)aniline
PubChem CID39366741
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-tert-butyl-N-(3-phenylpropyl)aniline
SMILESCC(C)(C)c1ccccc1NCCCc1ccccc1
InChIInChI=1S/C19H25N/c1-19(2,3)17-13-7-8-14-18(17)20-15-9-12-16-10-5-4-6-11-16/h4-8,10-11,13-14,20H,9,12,15H2,1-3H3
InChIKeyHQTVCTLGXDPXTQ-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.03
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-tert-butyl-N-propylaniline
CID 39238556
N-[2-(2-tert-butylphenoxy)ethyl]-2-(3-phenylpropoxy)aniline
CID 54801302
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
1-(2-tert-butylphenyl)-3-(2-phenylethyl)thiourea
CID 7939289
1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139443
N-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973
2-(3-phenylpropylamino)benzonitrile
CID 28580856
4-bromo-N-(3-phenylpropyl)-2-(trifluoromethyl)aniline
CID 60792367
6-(2-tert-butylanilino)-2,2-dimethylhexanenitrile
CID 106709354
2-bromo-N-(4-phenylbutyl)aniline
CID 114333139
2-tert-butyl-N-(2,2-dimethylpropyl)aniline
CID 63426950
2,4,5-trifluoro-N-(3-phenylpropyl)aniline
CID 55118204

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(3-phenylpropyl)aniline?
The IUPAC name of 2-tert-butyl-N-(3-phenylpropyl)aniline (CID 39366741) is 2-tert-butyl-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(3-phenylpropyl)aniline?
The canonical SMILES for 2-tert-butyl-N-(3-phenylpropyl)aniline is CC(C)(C)c1ccccc1NCCCc1ccccc1.
What is the InChIKey of 2-tert-butyl-N-(3-phenylpropyl)aniline?
The InChIKey is HQTVCTLGXDPXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-19(2,3)17-13-7-8-14-18(17)20-15-9-12-16-10-5-4-6-11-16/h4-8,10-11,13-14,20H,9,12,15H2,1-3H3.
What are the key properties of 2-tert-butyl-N-(3-phenylpropyl)aniline?
2-tert-butyl-N-(3-phenylpropyl)aniline has a molecular weight of 267.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 39366741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).