4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine

C17H22N2 — CID 59230081

IUPAC4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
SMILESCCCCc1ccc(CNc2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2/c1-2-3-4-14-5-7-15(8-6-14)13-19-17-11-9-16(18)10-12-17/h5-12,19H,2-4,13,18H2,1H3
InChIKeyNBGPITWWZVJIJH-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.22
Rot. Bonds6

About 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine

4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine (PubChem CID 59230081) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
PubChem CID59230081
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine
SMILESCCCCc1ccc(CNc2ccc(N)cc2)cc1
InChIInChI=1S/C17H22N2/c1-2-3-4-14-5-7-15(8-6-14)13-19-17-11-9-16(18)10-12-17/h5-12,19H,2-4,13,18H2,1H3
InChIKeyNBGPITWWZVJIJH-UHFFFAOYSA-N
XLogP4.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-[(3,5-dimethylphenyl)methyl]aniline
CID 60685123
4-[(4-propylsulfonylanilino)methyl]aniline
CID 60874910
2-[(4-butylanilino)methyl]thiophen-3-amine
CID 66387516
N-[4-[(4-butylanilino)methyl]phenyl]-2-methylpropane-2-sulfinamide
CID 70939371
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-butyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749224
4-[(4-butylanilino)methyl]-2,6-dimethylphenol
CID 28932398
N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
CID 24850159
4-N-[4-(4-aminophenyl)butyl]benzene-1,4-diamine
CID 58212339
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine (CID 59230081) is 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine is CCCCc1ccc(CNc2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine?
The InChIKey is NBGPITWWZVJIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-3-4-14-5-7-15(8-6-14)13-19-17-11-9-16(18)10-12-17/h5-12,19H,2-4,13,18H2,1H3.
What are the key properties of 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine?
4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine has a molecular weight of 254.38 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-butylphenyl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 59230081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).