1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine

C15H23ClFN — CID 114886503

IUPAC1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(Cl)ccc1F
InChIInChI=1S/C15H23ClFN/c1-4-8-18-15(9-11(3)5-2)13-10-12(16)6-7-14(13)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3
InChIKeyCZZQDJUCCWMERD-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.96
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine

1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114886503) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
PubChem CID114886503
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)c1cc(Cl)ccc1F
InChIInChI=1S/C15H23ClFN/c1-4-8-18-15(9-11(3)5-2)13-10-12(16)6-7-14(13)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3
InChIKeyCZZQDJUCCWMERD-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114874375
3-methyl-N-propyl-1-(2,4,5-trifluorophenyl)pentan-1-amine
CID 103302896
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
1-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874585
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
1-(2,5-difluorophenyl)-3-ethyl-N-propylpentan-1-amine
CID 82922427
1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylpentan-1-amine
CID 114874516
1-(2-chloro-3-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846420
1-(2-chloro-4,5-dimethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874372
1-(2,4-dichlorophenyl)-3,5,5-trimethyl-N-propylhexan-1-amine
CID 63501748
1-(5-chloro-2-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 114886581

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine (CID 114886503) is 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)c1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is CZZQDJUCCWMERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-4-8-18-15(9-11(3)5-2)13-10-12(16)6-7-14(13)17/h6-7,10-11,15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine?
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114886503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).