N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

C10H14ClFN2 — CID 62680595

IUPACN'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H14ClFN2/c1-14(5-4-13)7-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5,7,13H2,1H3
InChIKeyRHBKBZFKUUUYTI-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.87
Rot. Bonds4

About N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine

N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 62680595) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID62680595
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC NameN'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H14ClFN2/c1-14(5-4-13)7-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5,7,13H2,1H3
InChIKeyRHBKBZFKUUUYTI-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3,4-dichlorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373737
1-(4-chloro-3-fluorophenyl)-N-methoxy-N-methylmethanamine
CID 131177038
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylethanamine
CID 122142133
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191
4-[[2-aminoethyl(methyl)amino]methyl]benzene-1,2-diol
CID 62682581
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77083300
2-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-N-ethylethanamine
CID 107887497
3-amino-N-[(4-chloro-3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120873782
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-propylbenzene-1,4-diamine
CID 107882086
2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
CID 82925317

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine (CID 62680595) is N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is RHBKBZFKUUUYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2/c1-14(5-4-13)7-8-2-3-9(11)10(12)6-8/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine?
N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 216.69 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chloro-3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62680595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).