2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine

C16H19FN2 — CID 65377491

IUPAC2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine
SMILESNCC(CCc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c17-14-7-10-15(11-8-14)19-16(12-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,16,19H,6,9,12,18H2
InChIKeyPLWIOQKDGDQSKT-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.20
Rot. Bonds6

About 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine

2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine (PubChem CID 65377491) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine
PubChem CID65377491
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine
SMILESNCC(CCc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C16H19FN2/c17-14-7-10-15(11-8-14)19-16(12-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,16,19H,6,9,12,18H2
InChIKeyPLWIOQKDGDQSKT-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(4-fluoroanilino)-4-phenylbutanoate
CID 62881970
2-N-(4-fluorophenyl)nonane-1,2-diamine
CID 65378747
(2R)-5,5,5-trifluoro-2-N-(4-phenylphenyl)pentane-1,2-diamine
CID 151152805
1-(4-benzylanilino)-4-(4-fluorophenyl)butan-2-ol
CID 68658256
1-amino-3-(1,5-diphenylpentan-3-ylamino)propan-2-ol
CID 23467801
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
CID 64768756
4-methoxy-N-(1-phenylheptan-3-yl)aniline
CID 85304689
2-N-morpholin-4-yl-4-phenylbutane-1,2-diamine
CID 83013680
2-amino-N-(1,5-diphenylpentan-3-yl)acetamide
CID 119340752
(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
CID 67009207

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine?
The IUPAC name of 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine (CID 65377491) is 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine is NCC(CCc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine?
The InChIKey is PLWIOQKDGDQSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-14-7-10-15(11-8-14)19-16(12-18)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-11,16,19H,6,9,12,18H2.
What are the key properties of 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine?
2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluorophenyl)-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 65377491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).