N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine

C17H20ClFN2 — CID 62135824

IUPACN-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClFN2/c1-12-9-15(19)7-8-16(12)17(10-20)21(2)11-13-3-5-14(18)6-4-13/h3-9,17H,10-11,20H2,1-2H3
InChIKeyBNDARNAVCGUFAA-UHFFFAOYSA-N
MW306.81 g/mol
LogP3.92
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine

N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine (PubChem CID 62135824) has the molecular formula C17H20ClFN2 and a molecular weight of 306.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
PubChem CID62135824
Molecular FormulaC17H20ClFN2
Molecular Weight306.81 g/mol
Exact Mass306.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine
SMILESCc1cc(F)ccc1C(CN)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClFN2/c1-12-9-15(19)7-8-16(12)17(10-20)21(2)11-13-3-5-14(18)6-4-13/h3-9,17H,10-11,20H2,1-2H3
InChIKeyBNDARNAVCGUFAA-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 66157436
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 62135312
1-(4-fluoro-2-methylphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62134637
N-[(4-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842949
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 106817297
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
N-[(3-bromophenyl)methyl]-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 61415951
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 61414691
N-[(3-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842951
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43211967
1-(4-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61413518

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine (CID 62135824) is N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine is Cc1cc(F)ccc1C(CN)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine?
The InChIKey is BNDARNAVCGUFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2/c1-12-9-15(19)7-8-16(12)17(10-20)21(2)11-13-3-5-14(18)6-4-13/h3-9,17H,10-11,20H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine?
N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine has a molecular weight of 306.81 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(4-fluoro-2-methylphenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 62135824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).