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

C15H23ClFN — CID 112654146

IUPAC2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H23ClFN/c1-4-6-12(10-18-11(2)3)9-13-7-5-8-14(17)15(13)16/h5,7-8,11-12,18H,4,6,9-10H2,1-3H3
InChIKeyYLNFGGJCRHYVPS-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.44
Rot. Bonds7

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

2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 112654146) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID112654146
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H23ClFN/c1-4-6-12(10-18-11(2)3)9-13-7-5-8-14(17)15(13)16/h5,7-8,11-12,18H,4,6,9-10H2,1-3H3
InChIKeyYLNFGGJCRHYVPS-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2-chloro-3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 112654147
4-(2-chloro-3-fluorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 112655054
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988
2-[(2-methoxyphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62528121
4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62514756
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 102858667
1-(2-chloro-3-fluorophenyl)-3-ethoxy-N-ethylbutan-2-amine
CID 112653738
2-[(2-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 63498524
4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
2-benzyl-3-(2-chloro-3-fluorophenyl)-N-ethylpropan-1-amine
CID 115984184

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine (CID 112654146) is 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is YLNFGGJCRHYVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-4-6-12(10-18-11(2)3)9-13-7-5-8-14(17)15(13)16/h5,7-8,11-12,18H,4,6,9-10H2,1-3H3.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine?
2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 112654146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).