1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine

C15H24ClNO — CID 104545774

IUPAC1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-4-6-11(7-5-2)15(17)13-10-12(16)8-9-14(13)18-3/h8-11,15H,4-7,17H2,1-3H3
InChIKeyNHASNACUBAFBDF-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.56
Rot. Bonds7

About 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine

1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine (PubChem CID 104545774) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine
PubChem CID104545774
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine
SMILESCCCC(CCC)C(N)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClNO/c1-4-6-11(7-5-2)15(17)13-10-12(16)8-9-14(13)18-3/h8-11,15H,4-7,17H2,1-3H3
InChIKeyNHASNACUBAFBDF-UHFFFAOYSA-N
XLogP4.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-bromobutyl)-4-chloro-1-methoxybenzene
CID 104546547
1-(5-chloro-2-methoxyphenyl)-2,2-diethoxyethanamine
CID 79495966
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
ethyl (3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2-fluoropropanoate
CID 171251378
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)propan-2-ol
CID 130749346
4-chloro-2-(1-chloro-2-methylpentyl)-1-methoxybenzene
CID 104546269
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
1-(2,4-dimethoxyphenyl)-2-propylpentan-1-amine
CID 82985587
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
[1-(5-chloro-2-methoxyphenyl)-2-methoxypentyl]hydrazine
CID 105271901

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine (CID 104545774) is 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine is CCCC(CCC)C(N)c1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine?
The InChIKey is NHASNACUBAFBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-6-11(7-5-2)15(17)13-10-12(16)8-9-14(13)18-3/h8-11,15H,4-7,17H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine?
1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine is sourced from PubChem (CID 104545774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).