4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine

C15H19N3 — CID 66809670

IUPAC4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine
SMILESCCC(N)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H19N3/c1-2-15(16)18-14-10-8-13(9-11-14)17-12-6-4-3-5-7-12/h3-11,15,17-18H,2,16H2,1H3
InChIKeyJAMYNRHMYWAFLR-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.54
Rot. Bonds5

About 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine

4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine (PubChem CID 66809670) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine
PubChem CID66809670
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine
SMILESCCC(N)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C15H19N3/c1-2-15(16)18-14-10-8-13(9-11-14)17-12-6-4-3-5-7-12/h3-11,15,17-18H,2,16H2,1H3
InChIKeyJAMYNRHMYWAFLR-UHFFFAOYSA-N
XLogP3.54
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-chlorophenyl)propane-1,1-diamine
CID 70466572
4-N-(5-methylheptan-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 19781413
4-N-[4-(4-anilinoanilino)pentan-2-yl]-1-N-phenylbenzene-1,4-diamine
CID 129234717
N',N"-diphenylmethanetriamine
CID 89357309
2-methoxy-1-N'-phenylethane-1,1-diamine
CID 139645747
4-N-phenylbenzene-1,4-diamine;1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 145341199
hydrazine;N-phenylaniline
CID 159755629
3-amino-3-anilinopropan-1-ol
CID 174697333
3-N-butan-2-yl-1-N-phenylbenzene-1,3-diamine
CID 70460627
3-amino-3-anilinopropanal
CID 57291252
diphenylmethanamine;N-phenylaniline
CID 162045655
azane;N-phenylaniline
CID 67074378

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine (CID 66809670) is 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine is CCC(N)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine?
The InChIKey is JAMYNRHMYWAFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-15(16)18-14-10-8-13(9-11-14)17-12-6-4-3-5-7-12/h3-11,15,17-18H,2,16H2,1H3.
What are the key properties of 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine?
4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 66809670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).