2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol

C17H28ClNO2 — CID 83937981

IUPAC2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
SMILESCCCOc1cc(C)c(Cl)c(C)c1CC(C)C(CN)CO
InChIInChI=1S/C17H28ClNO2/c1-5-6-21-16-8-12(3)17(18)13(4)15(16)7-11(2)14(9-19)10-20/h8,11,14,20H,5-7,9-10,19H2,1-4H3
InChIKeyUDTHUVTXKOXBIB-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.49
Rot. Bonds8

About 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol

2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol (PubChem CID 83937981) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
PubChem CID83937981
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
SMILESCCCOc1cc(C)c(Cl)c(C)c1CC(C)C(CN)CO
InChIInChI=1S/C17H28ClNO2/c1-5-6-21-16-8-12(3)17(18)13(4)15(16)7-11(2)14(9-19)10-20/h8,11,14,20H,5-7,9-10,19H2,1-4H3
InChIKeyUDTHUVTXKOXBIB-UHFFFAOYSA-N
XLogP3.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol
CID 83937730
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
2-(aminomethyl)-4-(4-ethoxy-2,3,6-trimethylphenyl)-3-methylbutan-1-ol
CID 83939433
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)ethanamine
CID 82053378
2-(aminomethyl)-4-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 83931978
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-methylbutanethioamide
CID 83938004
4-(3-chloro-6-ethoxy-2,4-dimethylphenyl)-3-methylbutanethioamide
CID 83937886
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butanoic acid
CID 83958660
2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
CID 83933372
3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)pentanoic acid
CID 83958661

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol (CID 83937981) is 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol is CCCOc1cc(C)c(Cl)c(C)c1CC(C)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is UDTHUVTXKOXBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-5-6-21-16-8-12(3)17(18)13(4)15(16)7-11(2)14(9-19)10-20/h8,11,14,20H,5-7,9-10,19H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 313.87 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83937981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).