1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine

C17H19ClFN — CID 62899971

IUPAC1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2c(F)cccc2Cl)cc1C
InChIInChI=1S/C17H19ClFN/c1-11-6-7-13(8-12(11)2)9-14(20)10-15-16(18)4-3-5-17(15)19/h3-8,14H,9-10,20H2,1-2H3
InChIKeySGPQQTLBDDPIGJ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.21
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine

1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine (PubChem CID 62899971) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
PubChem CID62899971
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(CC(N)Cc2c(F)cccc2Cl)cc1C
InChIInChI=1S/C17H19ClFN/c1-11-6-7-13(8-12(11)2)9-14(20)10-15-16(18)4-3-5-17(15)19/h3-8,14H,9-10,20H2,1-2H3
InChIKeySGPQQTLBDDPIGJ-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
1-(2,6-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 62603392
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
1-(2-chloro-6-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63023518
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
2-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,3-difluorobenzene
CID 55225008
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine (CID 62899971) is 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine is Cc1ccc(CC(N)Cc2c(F)cccc2Cl)cc1C.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine?
The InChIKey is SGPQQTLBDDPIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-11-6-7-13(8-12(11)2)9-14(20)10-15-16(18)4-3-5-17(15)19/h3-8,14H,9-10,20H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine?
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine has a molecular weight of 291.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 62899971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).