1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine

C18H24N2 — CID 18669796

IUPAC1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-3-14-20(15-4-2)18-12-10-17(11-13-18)19-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyNGEALFOUGDPJOF-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.06
Rot. Bonds7

About 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine

1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine (PubChem CID 18669796) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
PubChem CID18669796
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine
SMILESCCCN(CCC)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-3-14-20(15-4-2)18-12-10-17(11-13-18)19-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyNGEALFOUGDPJOF-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropylaniline;ethane
CID 142135231
1-N-benzyl-4-N,4-N-dipropylbenzene-1,4-diamine
CID 83962170
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
ethane;1-N,4-N,4-N-triphenylbenzene-1,4-diamine
CID 91177685
aniline;4-N,4-N-dipropylbenzene-1,4-diamine
CID 174806635
1-[4-anilino-N-(2-hydroxypropyl)anilino]propan-2-ol
CID 71372983
4-N,4-N-diphenyl-1-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;ethane
CID 145125987
4-[1-[4-(dipropylamino)phenyl]-6,6-diphenylhexa-1,3,5-trienyl]-N,N-dipropylaniline
CID 59989781
4-N-[4-(N-ethyl-4-methylanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 21276065
2-(4-amino-N-propylanilino)-N-phenylacetamide
CID 63233780
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
1-N-butyl-4-N-[4-[4-(butylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]benzene-1,4-diamine
CID 139438578

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine?
The IUPAC name of 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine (CID 18669796) is 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine?
The canonical SMILES for 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine is CCCN(CCC)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine?
The InChIKey is NGEALFOUGDPJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-14-20(15-4-2)18-12-10-17(11-13-18)19-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3.
What are the key properties of 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine?
1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-4-N,4-N-dipropylbenzene-1,4-diamine is sourced from PubChem (CID 18669796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).