2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol

C14H23NO2 — CID 83926810

IUPAC2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
SMILESCOc1ccc(CC(CN)CO)cc1C(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)13-7-11(4-5-14(13)17-3)6-12(8-15)9-16/h4-5,7,10,12,16H,6,8-9,15H2,1-3H3
InChIKeyAOPWMBININPEKH-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.93
Rot. Bonds6

About 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol

2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol (PubChem CID 83926810) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
PubChem CID83926810
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol
SMILESCOc1ccc(CC(CN)CO)cc1C(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)13-7-11(4-5-14(13)17-3)6-12(8-15)9-16/h4-5,7,10,12,16H,6,8-9,15H2,1-3H3
InChIKeyAOPWMBININPEKH-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
CID 83926807
2-(aminomethyl)-3-[4-methoxy-3-(2-methoxy-5-pyridin-4-ylphenyl)phenyl]propan-1-ol
CID 166257819
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
3-[(4-methoxy-3-propan-2-ylphenyl)methylamino]propan-1-ol
CID 94687238
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-(4-methoxy-3-propan-2-ylphenyl)ethanethiol
CID 82126770
2-[(4-methoxy-3-propan-2-ylanilino)methyl]butan-1-ol
CID 115250495
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]butanenitrile
CID 116931503
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol (CID 83926810) is 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol is COc1ccc(CC(CN)CO)cc1C(C)C.
What is the InChIKey of 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol?
The InChIKey is AOPWMBININPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)13-7-11(4-5-14(13)17-3)6-12(8-15)9-16/h4-5,7,10,12,16H,6,8-9,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol?
2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-ol is sourced from PubChem (CID 83926810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).