2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine

C14H23FN2 — CID 120966503

IUPAC2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine
SMILESCc1ccc(F)cc1CNC(C)(CN)C(C)C
InChIInChI=1S/C14H23FN2/c1-10(2)14(4,9-16)17-8-12-7-13(15)6-5-11(12)3/h5-7,10,17H,8-9,16H2,1-4H3
InChIKeyWCJLZGGUHHPFEO-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.60
Rot. Bonds5

About 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine

2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine (PubChem CID 120966503) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine
PubChem CID120966503
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine
SMILESCc1ccc(F)cc1CNC(C)(CN)C(C)C
InChIInChI=1S/C14H23FN2/c1-10(2)14(4,9-16)17-8-12-7-13(15)6-5-11(12)3/h5-7,10,17H,8-9,16H2,1-4H3
InChIKeyWCJLZGGUHHPFEO-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966511
2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine
CID 112738187
N-[(5-fluoro-2-methylphenyl)methyl]methanethioamide
CID 145231296
ethyl 2-(aminomethyl)-2-[(5-fluoro-2-methylphenyl)methyl]-3-methylbutanoate
CID 106488682

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine (CID 120966503) is 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine is Cc1ccc(F)cc1CNC(C)(CN)C(C)C.
What is the InChIKey of 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine?
The InChIKey is WCJLZGGUHHPFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-10(2)14(4,9-16)17-8-12-7-13(15)6-5-11(12)3/h5-7,10,17H,8-9,16H2,1-4H3.
What are the key properties of 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine?
2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 120966503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).