4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine

C18H24N2 — CID 67184223

IUPAC4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
SMILESCCCCN(c1ccccc1)c1ccc(NCC)cc1
InChIInChI=1S/C18H24N2/c1-3-5-15-20(17-9-7-6-8-10-17)18-13-11-16(12-14-18)19-4-2/h6-14,19H,3-5,15H2,1-2H3
InChIKeyCZSLTSKSAHMWEP-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.06
Rot. Bonds7

About 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine

4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine (PubChem CID 67184223) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
PubChem CID67184223
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine
SMILESCCCCN(c1ccccc1)c1ccc(NCC)cc1
InChIInChI=1S/C18H24N2/c1-3-5-15-20(17-9-7-6-8-10-17)18-13-11-16(12-14-18)19-4-2/h6-14,19H,3-5,15H2,1-2H3
InChIKeyCZSLTSKSAHMWEP-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

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Related Compounds

1-N,4-N-dibutyl-4-N-phenylbenzene-1,4-diamine
CID 57159052
N-butyl-N-phenylaniline;hydrobromide
CID 70419495
butane;N-octyl-N-phenylaniline
CID 175431375
4-(4-benzylphenyl)-N-phenylaniline;N-butyl-4-[4-(N-butylanilino)phenyl]-N-phenylaniline;ethane;pentane
CID 161074817
4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
CID 78996712
5-N-butyl-5-N-phenyl-3-N-propylpyridine-3,5-diamine
CID 104534905
4-methoxy-N-pentyl-N-phenylaniline
CID 174868120
N-butyl-3-chloro-N-phenylaniline
CID 23348476
1-N-butyl-4-methyl-1-N-phenylbenzene-1,3-diamine
CID 64584977
4-N-butyl-2-N-ethyl-5-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 80826529
4-(N-butylanilino)-N'-hydroxybenzenecarboximidamide
CID 77047547
5-(N-butylanilino)pyridine-2-carbonitrile
CID 115487727

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine (CID 67184223) is 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine is CCCCN(c1ccccc1)c1ccc(NCC)cc1.
What is the InChIKey of 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine?
The InChIKey is CZSLTSKSAHMWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-5-15-20(17-9-7-6-8-10-17)18-13-11-16(12-14-18)19-4-2/h6-14,19H,3-5,15H2,1-2H3.
What are the key properties of 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine?
4-N-butyl-1-N-ethyl-4-N-phenylbenzene-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 4-N-butyl-1-N-ethyl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 67184223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).