2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol

C15H24ClNO2 — CID 83940579

IUPAC2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
SMILESCCOc1c(C)cc(Cl)c(C)c1CCC(CN)CO
InChIInChI=1S/C15H24ClNO2/c1-4-19-15-10(2)7-14(16)11(3)13(15)6-5-12(8-17)9-18/h7,12,18H,4-6,8-9,17H2,1-3H3
InChIKeyUBPGUJMQOUUPPU-UHFFFAOYSA-N
MW285.81 g/mol
LogP2.86
Rot. Bonds7

About 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol

2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol (PubChem CID 83940579) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
PubChem CID83940579
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
SMILESCCOc1c(C)cc(Cl)c(C)c1CCC(CN)CO
InChIInChI=1S/C15H24ClNO2/c1-4-19-15-10(2)7-14(16)11(3)13(15)6-5-12(8-17)9-18/h7,12,18H,4-6,8-9,17H2,1-3H3
InChIKeyUBPGUJMQOUUPPU-UHFFFAOYSA-N
XLogP2.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
CID 83940663
2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
CID 83937598
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
2-[2-(4-ethoxy-2,6-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83940184
2-[3-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-yl]propane-1,3-diamine
CID 83940614
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)ethanamine
CID 82266808
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
CID 83940649
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
CID 83931462

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol (CID 83940579) is 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol is CCOc1c(C)cc(Cl)c(C)c1CCC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol?
The InChIKey is UBPGUJMQOUUPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO2/c1-4-19-15-10(2)7-14(16)11(3)13(15)6-5-12(8-17)9-18/h7,12,18H,4-6,8-9,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol?
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol has a molecular weight of 285.81 g/mol, XLogP of 2.86, 7 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-2-ethoxy-3,6-dimethylphenyl)butan-1-ol is sourced from PubChem (CID 83940579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).