1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine

C15H24ClNO — CID 170890034

IUPAC1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
SMILESCCCOc1cc(C)c(Cl)c(C)c1CC(N)CC
InChIInChI=1S/C15H24ClNO/c1-5-7-18-14-8-10(3)15(16)11(4)13(14)9-12(17)6-2/h8,12H,5-7,9,17H2,1-4H3
InChIKeyDXOKXFUHGCJKKB-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.03
Rot. Bonds6

About 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine

1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine (PubChem CID 170890034) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
PubChem CID170890034
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
SMILESCCCOc1cc(C)c(Cl)c(C)c1CC(N)CC
InChIInChI=1S/C15H24ClNO/c1-5-7-18-14-8-10(3)15(16)11(4)13(14)9-12(17)6-2/h8,12H,5-7,9,17H2,1-4H3
InChIKeyDXOKXFUHGCJKKB-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
1-(2-chloro-4-fluoro-6-propoxyphenyl)butan-2-amine
CID 170890119
2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
CID 83937981
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
2-chloro-4-hex-5-yn-3-yl-1,3-dimethyl-5-propoxybenzene
CID 83938031
6-(5-chloro-4-methyl-2-propoxyphenyl)heptan-3-amine
CID 83937721
1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890039
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)pentanoic acid
CID 83958661
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-methylbutanethioamide
CID 83938004
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine?
The IUPAC name of 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine (CID 170890034) is 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine is CCCOc1cc(C)c(Cl)c(C)c1CC(N)CC.
What is the InChIKey of 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine?
The InChIKey is DXOKXFUHGCJKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-7-18-14-8-10(3)15(16)11(4)13(14)9-12(17)6-2/h8,12H,5-7,9,17H2,1-4H3.
What are the key properties of 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine?
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine is sourced from PubChem (CID 170890034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).