1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine

C15H23ClFN — CID 112653600

IUPAC1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(F)c1Cl)CC(C)C
InChIInChI=1S/C15H23ClFN/c1-4-8-18-13(9-11(2)3)10-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyMTQRRBXARPYNRG-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.44
Rot. Bonds7

About 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine

1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine (PubChem CID 112653600) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
PubChem CID112653600
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cccc(F)c1Cl)CC(C)C
InChIInChI=1S/C15H23ClFN/c1-4-8-18-13(9-11(2)3)10-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3
InChIKeyMTQRRBXARPYNRG-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

1-(2-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198841
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
4-(2-chloro-3-fluorophenyl)-N-propylbutan-2-amine
CID 112652633
1-(3-chloro-2-fluorophenyl)-5-methyl-N-propylhexan-2-amine
CID 82805491
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
1-(2-chloro-3-fluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 112653767
1-(2-fluorophenyl)-4-methoxy-N-propylpentan-2-amine
CID 113391483
4-(2-chloro-3-fluorophenyl)-1-methoxy-N-propylbutan-2-amine
CID 112652674
1-(3-chloro-2-fluorophenyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 102866601
1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine (CID 112653600) is 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1cccc(F)c1Cl)CC(C)C.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine?
The InChIKey is MTQRRBXARPYNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-4-8-18-13(9-11(2)3)10-12-6-5-7-14(17)15(12)16/h5-7,11,13,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine?
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-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 1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 112653600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).