2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine

C17H19ClFN — CID 62529664

IUPAC2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFN/c1-20-12-14(10-13-6-3-2-4-7-13)11-15-16(18)8-5-9-17(15)19/h2-9,14,20H,10-12H2,1H3
InChIKeyQVPYLQQQWAFRTN-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.10
Rot. Bonds6

About 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine

2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 62529664) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
PubChem CID62529664
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H19ClFN/c1-20-12-14(10-13-6-3-2-4-7-13)11-15-16(18)8-5-9-17(15)19/h2-9,14,20H,10-12H2,1H3
InChIKeyQVPYLQQQWAFRTN-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62514397
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
2-[(2,6-difluorophenyl)methyl]-N-methylbutan-1-amine
CID 114933384
2-[(2-chloro-3-fluorophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 115984189
2-[(3-bromophenyl)methyl]-3-(4-chloro-3-fluorophenyl)-N-methylpropan-1-amine
CID 107897206
2-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
CID 63523561

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine (CID 62529664) is 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccccc1)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is QVPYLQQQWAFRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-20-12-14(10-13-6-3-2-4-7-13)11-15-16(18)8-5-9-17(15)19/h2-9,14,20H,10-12H2,1H3.
What are the key properties of 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine?
2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 291.80 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(2-chloro-6-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 62529664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).