N-(3-phenylbutyl)-2-propylaniline

C19H25N — CID 63434100

IUPACN-(3-phenylbutyl)-2-propylaniline
SMILESCCCc1ccccc1NCCC(C)c1ccccc1
InChIInChI=1S/C19H25N/c1-3-9-18-12-7-8-13-19(18)20-15-14-16(2)17-10-5-4-6-11-17/h4-8,10-13,16,20H,3,9,14-15H2,1-2H3
InChIKeyHJSSGGWGUYWSJV-UHFFFAOYSA-N
MW267.42 g/mol
LogP5.24
Rot. Bonds7

About N-(3-phenylbutyl)-2-propylaniline

N-(3-phenylbutyl)-2-propylaniline (PubChem CID 63434100) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-phenylbutyl)-2-propylaniline.

Molecular Properties

Compound NameN-(3-phenylbutyl)-2-propylaniline
PubChem CID63434100
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN-(3-phenylbutyl)-2-propylaniline
SMILESCCCc1ccccc1NCCC(C)c1ccccc1
InChIInChI=1S/C19H25N/c1-3-9-18-12-7-8-13-19(18)20-15-14-16(2)17-10-5-4-6-11-17/h4-8,10-13,16,20H,3,9,14-15H2,1-2H3
InChIKeyHJSSGGWGUYWSJV-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoroethyl)-2-propylaniline
CID 80695673
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
2-(3-phenylbutylamino)benzoic acid
CID 63423081
3-bromo-2-methyl-N-(3-phenylbutyl)aniline
CID 107630204
pentan-2-ylbenzene
CID 17627
N-(4,4-dimethylpentyl)-2-propylaniline
CID 114209394
2-methyl-3-(2-propylanilino)propan-1-ol
CID 115872000
N-(3-phenylbutyl)-2-propan-2-yloxypyridin-3-amine
CID 63456333
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
2-propyl-N-(4,4,4-trifluorobutyl)aniline
CID 113326332
2-(2-propylanilino)ethanesulfonamide
CID 114384948
2,5-difluoro-4-methyl-N-(3-phenylbutyl)aniline
CID 103584755

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-2-propylaniline?
The IUPAC name of N-(3-phenylbutyl)-2-propylaniline (CID 63434100) is N-(3-phenylbutyl)-2-propylaniline.
What is the SMILES notation for N-(3-phenylbutyl)-2-propylaniline?
The canonical SMILES for N-(3-phenylbutyl)-2-propylaniline is CCCc1ccccc1NCCC(C)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-2-propylaniline?
The InChIKey is HJSSGGWGUYWSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-3-9-18-12-7-8-13-19(18)20-15-14-16(2)17-10-5-4-6-11-17/h4-8,10-13,16,20H,3,9,14-15H2,1-2H3.
What are the key properties of N-(3-phenylbutyl)-2-propylaniline?
N-(3-phenylbutyl)-2-propylaniline has a molecular weight of 267.42 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-2-propylaniline is sourced from PubChem (CID 63434100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).