2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol

C17H29NO2 — CID 83942169

IUPAC2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
SMILESCCCOc1c(C)cc(C)cc1C(C)CC(CN)CO
InChIInChI=1S/C17H29NO2/c1-5-6-20-17-14(4)7-12(2)8-16(17)13(3)9-15(10-18)11-19/h7-8,13,15,19H,5-6,9-11,18H2,1-4H3
InChIKeyQDTICCRXLSTUOR-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.15
Rot. Bonds8

About 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol

2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol (PubChem CID 83942169) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
PubChem CID83942169
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
SMILESCCCOc1c(C)cc(C)cc1C(C)CC(CN)CO
InChIInChI=1S/C17H29NO2/c1-5-6-20-17-14(4)7-12(2)8-16(17)13(3)9-15(10-18)11-19/h7-8,13,15,19H,5-6,9-11,18H2,1-4H3
InChIKeyQDTICCRXLSTUOR-UHFFFAOYSA-N
XLogP3.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,5-dimethyl-2-propoxyphenyl)heptane-3,4-diol
CID 83942268
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
CID 83933625
2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
CID 83944138
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
2-[2-(3-tert-butyl-2-ethoxy-5-methylphenyl)propyl]propane-1,3-diamine
CID 83943036
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine
CID 83942296
2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]octane-4,5-diol
CID 83942398
3-(3,5-dimethyl-2-propoxyphenyl)hexanoic acid
CID 83959167
2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
CID 82053274
2-[2-(2-ethyl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83941785
1-(3,5-dimethyl-2-propoxyphenyl)-2-piperazin-1-ylethanol
CID 82267582

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol (CID 83942169) is 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol is CCCOc1c(C)cc(C)cc1C(C)CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol?
The InChIKey is QDTICCRXLSTUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-6-20-17-14(4)7-12(2)8-16(17)13(3)9-15(10-18)11-19/h7-8,13,15,19H,5-6,9-11,18H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol?
2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol is sourced from PubChem (CID 83942169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).