2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine

C16H20N2 — CID 115124445

IUPAC2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
SMILESCCCc1ccc(CNc2ccccc2N)cc1
InChIInChI=1S/C16H20N2/c1-2-5-13-8-10-14(11-9-13)12-18-16-7-4-3-6-15(16)17/h3-4,6-11,18H,2,5,12,17H2,1H3
InChIKeyDEPXOIIHIIWNSE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.83
Rot. Bonds5

About 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine

2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine (PubChem CID 115124445) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
PubChem CID115124445
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
SMILESCCCc1ccc(CNc2ccccc2N)cc1
InChIInChI=1S/C16H20N2/c1-2-5-13-8-10-14(11-9-13)12-18-16-7-4-3-6-15(16)17/h3-4,6-11,18H,2,5,12,17H2,1H3
InChIKeyDEPXOIIHIIWNSE-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-chlorophenyl)methyl]benzene-1,2-diamine
CID 15680100
[4-[(2-aminoanilino)methyl]phenyl]methanol
CID 107231520
2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
CID 115124545
2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
2-methyl-3-N-(4-propylphenyl)benzene-1,3-diamine
CID 63077971
2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124486
2-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 60903784
N-[[4-(dimethylamino)phenyl]methyl]-2-propylaniline
CID 43687256
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 22184587

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine (CID 115124445) is 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine is CCCc1ccc(CNc2ccccc2N)cc1.
What is the InChIKey of 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine?
The InChIKey is DEPXOIIHIIWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-5-13-8-10-14(11-9-13)12-18-16-7-4-3-6-15(16)17/h3-4,6-11,18H,2,5,12,17H2,1H3.
What are the key properties of 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine?
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115124445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).