N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

C16H19FN2 — CID 65385277

IUPACN-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)NCc1ccccc1
InChIInChI=1S/C16H19FN2/c1-12-9-14(17)7-8-15(12)16(10-18)19-11-13-5-3-2-4-6-13/h2-9,16,19H,10-11,18H2,1H3
InChIKeyDYEKHUPHGXKRDO-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.92
Rot. Bonds5

About N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (PubChem CID 65385277) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
PubChem CID65385277
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC NameN-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)NCc1ccccc1
InChIInChI=1S/C16H19FN2/c1-12-9-14(17)7-8-15(12)16(10-18)19-11-13-5-3-2-4-6-13/h2-9,16,19H,10-11,18H2,1H3
InChIKeyDYEKHUPHGXKRDO-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 115406339
N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65383338
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65384194
N-benzyl-1-(3,4-dimethylphenyl)ethane-1,2-diamine
CID 65385280
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
N-benzyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 60709706
N-benzyl-1-(2-bromo-4-fluorophenyl)ethanamine
CID 103775782
N-benzyl-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65383375
(2R)-2-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)propan-1-amine
CID 165410235
N-benzyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 60709682

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (CID 65385277) is N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is Cc1cc(F)ccc1C(CN)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is DYEKHUPHGXKRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-12-9-14(17)7-8-15(12)16(10-18)19-11-13-5-3-2-4-6-13/h2-9,16,19H,10-11,18H2,1H3.
What are the key properties of N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).