2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine

C16H25ClFN — CID 103040990

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H25ClFN/c1-11(2)7-14(10-19-12(3)4)8-13-5-6-16(18)15(17)9-13/h5-6,9,11-12,14,19H,7-8,10H2,1-4H3
InChIKeyKSNNEULJNNJYCU-UHFFFAOYSA-N
MW285.83 g/mol
LogP4.68
Rot. Bonds7

About 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine

2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 103040990) has the molecular formula C16H25ClFN and a molecular weight of 285.83 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
PubChem CID103040990
Molecular FormulaC16H25ClFN
Molecular Weight285.83 g/mol
Exact Mass285.17
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)C)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H25ClFN/c1-11(2)7-14(10-19-12(3)4)8-13-5-6-16(18)15(17)9-13/h5-6,9,11-12,14,19H,7-8,10H2,1-4H3
InChIKeyKSNNEULJNNJYCU-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(3-Chlorophenyl)ethyl](methyl)amine
CID 10583272
N-[3-(4-chlorophenyl)-4-methylpentyl]-1-methylpiperidin-4-amine
CID 17583254
p-Chloromethamphetamine
CID 3128
N-Desmethylsibutramine
CID 10199199
(RS/SR)-2-[1-(4-chlorophenyl)ethyl]piperidine
CID 16102749
(RS/SR)-2-[1-(4-chlorophenyl)propyl]piperidine
CID 16102750
(RS/SR)-2-[1-(4-chlorophenyl)butyl]piperidine
CID 16102751
(RS/SR)-2-[1-(4-chlorophenyl)pentyl]piperidine
CID 16102753
(RS/SR)-2-[1-(4-chlorophenyl)hexyl]piperidine
CID 16102754
(RR/SS)-2-[1-(3,4-dichlorophenyl)-3-methylbutyl]-piperidine
CID 16102766
8-Chloro-7-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9990808
7-chloro-6-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 11264345

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine (CID 103040990) is 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine is CC(C)CC(CNC(C)C)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is KSNNEULJNNJYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFN/c1-11(2)7-14(10-19-12(3)4)8-13-5-6-16(18)15(17)9-13/h5-6,9,11-12,14,19H,7-8,10H2,1-4H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 285.83 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 103040990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).