N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine

C11H15ClFN — CID 122609915

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-3-6-14(2)8-9-4-5-11(13)10(12)7-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeyNWOYLSOWZWSIPE-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.32
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine

N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine (PubChem CID 122609915) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine
PubChem CID122609915
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine
SMILESCCCN(C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFN/c1-3-6-14(2)8-9-4-5-11(13)10(12)7-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeyNWOYLSOWZWSIPE-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 66905
3-Chloro-4-fluorobenzylamine
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CID 122721
Lauryldimethyl-3,4-dichlorobenzylammonium chloride
CID 7605
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
1-(3-Chlorobenzyl)azepane
CID 791415
2-(2-Chlorophenyl)-N,N-dimethylethanamine
CID 176468
Pyrrolidine, 2-(4-chlorophenyl)-1-methyl-
CID 44387149
(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53317168
Benzenemethanamine, N,N-bis(2-chloroethyl)-4-fluoro-
CID 15240

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine (CID 122609915) is N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine is CCCN(C)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine?
The InChIKey is NWOYLSOWZWSIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-3-6-14(2)8-9-4-5-11(13)10(12)7-9/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine?
N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine has a molecular weight of 215.70 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 122609915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).