3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol

C13H21NO2 — CID 66090969

IUPAC3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol
SMILESCCC(CN)(CCO)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-13(10-14,8-9-15)11-4-6-12(16-2)7-5-11/h4-7,15H,3,8-10,14H2,1-2H3
InChIKeyPGYDPTNAKOKBHP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds6

About 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol

3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol (PubChem CID 66090969) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol
PubChem CID66090969
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol
SMILESCCC(CN)(CCO)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-13(10-14,8-9-15)11-4-6-12(16-2)7-5-11/h4-7,15H,3,8-10,14H2,1-2H3
InChIKeyPGYDPTNAKOKBHP-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
CID 62596783
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
3-ethynyl-3-(4-methoxyphenyl)pent-4-yn-1-ol
CID 135072076
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
2-(4-ethoxyphenyl)-2-propylpentan-1-amine
CID 54886699
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
3,3-dimethoxy-3-(4-methoxyphenyl)propan-1-amine
CID 94684681
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol
CID 105489048
2-[(2-bromo-5-methoxyphenyl)methyl]-2-phenylbutan-1-amine
CID 65327261

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol?
The IUPAC name of 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol (CID 66090969) is 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol.
What is the SMILES notation for 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol?
The canonical SMILES for 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol is CCC(CN)(CCO)c1ccc(OC)cc1.
What is the InChIKey of 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol?
The InChIKey is PGYDPTNAKOKBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-13(10-14,8-9-15)11-4-6-12(16-2)7-5-11/h4-7,15H,3,8-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol?
3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol is sourced from PubChem (CID 66090969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).