2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol

C16H26ClNO2 — CID 83937730

IUPAC2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol
SMILESCCCOc1cc(C)c(Cl)cc1CC(C)C(CN)CO
InChIInChI=1S/C16H26ClNO2/c1-4-5-20-16-7-12(3)15(17)8-13(16)6-11(2)14(9-18)10-19/h7-8,11,14,19H,4-6,9-10,18H2,1-3H3
InChIKeyBTDJTHUWRVVDHF-UHFFFAOYSA-N
MW299.84 g/mol
LogP3.18
Rot. Bonds8

About 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol

2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol (PubChem CID 83937730) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol
PubChem CID83937730
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol
SMILESCCCOc1cc(C)c(Cl)cc1CC(C)C(CN)CO
InChIInChI=1S/C16H26ClNO2/c1-4-5-20-16-7-12(3)15(17)8-13(16)6-11(2)14(9-18)10-19/h7-8,11,14,19H,4-6,9-10,18H2,1-3H3
InChIKeyBTDJTHUWRVVDHF-UHFFFAOYSA-N
XLogP3.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-3-methylbutan-1-ol
CID 83937981
2-(aminomethyl)-4-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 83931978
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827
6-(5-chloro-4-methyl-2-propoxyphenyl)-2-methylhexan-3-amine
CID 83937719
methyl 2-(5-chloro-4-methyl-2-propoxyphenyl)acetate
CID 82553246
2-(aminomethyl)-4-(4-ethoxy-2,3,6-trimethylphenyl)-3-methylbutan-1-ol
CID 83939433
2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
CID 83937598
2-(aminomethyl)-4-(2,4-dimethylphenyl)-3-methylbutan-1-ol
CID 83928000
2-(aminomethyl)-3-(5-chloro-2-propoxyphenyl)propan-1-ol
CID 83933372
2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 83924661

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol (CID 83937730) is 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol is CCCOc1cc(C)c(Cl)cc1CC(C)C(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol?
The InChIKey is BTDJTHUWRVVDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-4-5-20-16-7-12(3)15(17)8-13(16)6-11(2)14(9-18)10-19/h7-8,11,14,19H,4-6,9-10,18H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol has a molecular weight of 299.84 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83937730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).