1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine

C14H22ClNO — CID 62040001

IUPAC1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H22ClNO/c1-4-8-16-12(5-2)10-17-13-6-7-14(15)11(3)9-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3
InChIKeyIWJVGFJTZBEVAX-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.81
Rot. Bonds7

About 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine

1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine (PubChem CID 62040001) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
PubChem CID62040001
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H22ClNO/c1-4-8-16-12(5-2)10-17-13-6-7-14(15)11(3)9-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3
InChIKeyIWJVGFJTZBEVAX-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475949
2-[2-(4-chloro-3-methylphenoxy)ethylamino]butan-1-ol
CID 68629028
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818
1-(4-chloro-3-methylphenoxy)-3-(3-methylpentan-2-ylamino)propan-2-ol
CID 61463569
(2R)-1-(butylamino)-3-(4-chloro-3-methylphenoxy)propan-2-ol
CID 7013121
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
1-(4-chloro-3-methylphenoxy)-3-(hex-1-yn-3-ylamino)propan-2-ol
CID 106229700
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
2-(4-chloro-3-methylphenoxy)-1-cyclopentyl-N-ethylethanamine
CID 104749281
methyl 2-bromo-3-(4-chloro-3-methylphenoxy)propanoate
CID 81092453
1-(4-chloro-3-methylphenoxy)-3-(3-methylsulfanylpropylamino)propan-2-ol
CID 63966916

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine (CID 62040001) is 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine is CCCNC(CC)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine?
The InChIKey is IWJVGFJTZBEVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-8-16-12(5-2)10-17-13-6-7-14(15)11(3)9-13/h6-7,9,12,16H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine?
1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 62040001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).