2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol

C14H22ClNO2 — CID 83937598

IUPAC2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
SMILESCCOc1cc(C)c(Cl)cc1CCC(CN)CO
InChIInChI=1S/C14H22ClNO2/c1-3-18-14-6-10(2)13(15)7-12(14)5-4-11(8-16)9-17/h6-7,11,17H,3-5,8-9,16H2,1-2H3
InChIKeyKHMOWXFAGSSHSI-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.55
Rot. Bonds7

About 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol

2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol (PubChem CID 83937598) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
PubChem CID83937598
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol
SMILESCCOc1cc(C)c(Cl)cc1CCC(CN)CO
InChIInChI=1S/C14H22ClNO2/c1-3-18-14-6-10(2)13(15)7-12(14)5-4-11(8-16)9-17/h6-7,11,17H,3-5,8-9,16H2,1-2H3
InChIKeyKHMOWXFAGSSHSI-UHFFFAOYSA-N
XLogP2.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chloro-2,4-diethoxyphenyl)ethyl]propane-1,3-diamine
CID 83943406
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
CID 83940579
1-chloro-4-ethoxy-5-(3-fluoropropyl)-2-methylbenzene
CID 83937619
4-(5-chloro-2,4-diethoxyphenyl)butane-1,2-diol
CID 83943487
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
1-(3-bromopropyl)-5-chloro-2-ethoxy-4-methylbenzene
CID 83937584
1-(5-chloro-4-methyl-2-propoxyphenyl)heptane-3,4-diol
CID 83937827
2-(aminomethyl)-4-(5-chloro-2-methoxy-4-methylphenyl)hexan-1-ol
CID 83937477
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812
5-(5-chloro-4-methyl-2-propoxyphenyl)pentane-2,3-diol
CID 83937823
propan-2-yl 2-(5-chloro-2-ethoxy-4-methylphenyl)acetate
CID 82553264
2-(aminomethyl)-4-(5-chloro-4-methyl-2-propoxyphenyl)-3-methylbutan-1-ol
CID 83937730

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol (CID 83937598) is 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol is CCOc1cc(C)c(Cl)cc1CCC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol?
The InChIKey is KHMOWXFAGSSHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-18-14-6-10(2)13(15)7-12(14)5-4-11(8-16)9-17/h6-7,11,17H,3-5,8-9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol?
2-(aminomethyl)-4-(5-chloro-2-ethoxy-4-methylphenyl)butan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.55, 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-4-methylphenyl)butan-1-ol is sourced from PubChem (CID 83937598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).