1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine

C14H21ClFN — CID 105394946

IUPAC1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(F)ccc1Cl)C(C)CC
InChIInChI=1S/C14H21ClFN/c1-4-8-17-14(10(3)5-2)12-9-11(16)6-7-13(12)15/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyJHZYGJMJKLZGEI-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.57
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine

1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine (PubChem CID 105394946) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
PubChem CID105394946
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(F)ccc1Cl)C(C)CC
InChIInChI=1S/C14H21ClFN/c1-4-8-17-14(10(3)5-2)12-9-11(16)6-7-13(12)15/h6-7,9-10,14,17H,4-5,8H2,1-3H3
InChIKeyJHZYGJMJKLZGEI-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-chloro-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 114013602
1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 79444566
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
N-[(2-chloro-5-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 105394631
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(4-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methyl]propan-1-amine
CID 105397412

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine (CID 105394946) is 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(F)ccc1Cl)C(C)CC.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is JHZYGJMJKLZGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-4-8-17-14(10(3)5-2)12-9-11(16)6-7-13(12)15/h6-7,9-10,14,17H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine?
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 257.78 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105394946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).