2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine

C17H20ClFN2 — CID 107364435

IUPAC2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C17H20ClFN2/c1-2-17(12-20,11-13-6-4-3-5-7-13)21-16-9-14(18)8-15(19)10-16/h3-10,21H,2,11-12,20H2,1H3
InChIKeyANLIDCGFOYVEQZ-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.24
Rot. Bonds6

About 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine

2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine (PubChem CID 107364435) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine
PubChem CID107364435
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC Name2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine
SMILESCCC(CN)(Cc1ccccc1)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C17H20ClFN2/c1-2-17(12-20,11-13-6-4-3-5-7-13)21-16-9-14(18)8-15(19)10-16/h3-10,21H,2,11-12,20H2,1H3
InChIKeyANLIDCGFOYVEQZ-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 107364427
2-N-(3-chlorophenyl)-2-ethylhexane-1,2-diamine
CID 65384865
2-(3-amino-5-fluoroanilino)-2-ethylpropane-1,3-diol
CID 107864533
2-N-(3-chloro-5-fluorophenyl)-2,5-dimethylhexane-1,2-diamine
CID 107364651
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994
N-(3-chloro-5-fluorophenyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 107364446
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
2-(3-fluoro-5-methylanilino)-2-methyl-3-phenylpropanoic acid
CID 79044451
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130589138
3-chloro-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 107363874
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
2-benzyl-2-N-(3-fluorophenyl)-2-N-methylbutane-1,2-diamine
CID 79008800

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine?
The IUPAC name of 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine (CID 107364435) is 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine.
What is the SMILES notation for 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine?
The canonical SMILES for 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine is CCC(CN)(Cc1ccccc1)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine?
The InChIKey is ANLIDCGFOYVEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-2-17(12-20,11-13-6-4-3-5-7-13)21-16-9-14(18)8-15(19)10-16/h3-10,21H,2,11-12,20H2,1H3.
What are the key properties of 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine?
2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine has a molecular weight of 306.81 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-N-(3-chloro-5-fluorophenyl)butane-1,2-diamine is sourced from PubChem (CID 107364435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).