3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine

C14H23NO2 — CID 64571644

IUPAC3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COCc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-14(15,5-2)11-17-10-12-7-6-8-13(9-12)16-3/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyMSONOMPBTITBOK-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.73
Rot. Bonds7

About 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine

3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine (PubChem CID 64571644) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
PubChem CID64571644
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
SMILESCCC(N)(CC)COCc1cccc(OC)c1
InChIInChI=1S/C14H23NO2/c1-4-14(15,5-2)11-17-10-12-7-6-8-13(9-12)16-3/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyMSONOMPBTITBOK-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
6-[(3-methoxyphenyl)methoxymethyl]pyridin-2-amine
CID 79240022
1-[(3-methoxyphenyl)methoxy]-N,N-dimethyl-2-thiophen-2-ylbutan-2-amine
CID 10829461
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate
CID 79798508
3-[(3-bromo-4-fluorophenyl)methoxymethyl]pentan-3-amine
CID 64572927
4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol
CID 11565688
1-(2,2-difluoroethoxymethyl)-3-methoxybenzene
CID 88878889
N-(2-amino-2-ethylbutyl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119639628
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine?
The IUPAC name of 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine (CID 64571644) is 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine is CCC(N)(CC)COCc1cccc(OC)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine?
The InChIKey is MSONOMPBTITBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-14(15,5-2)11-17-10-12-7-6-8-13(9-12)16-3/h6-9H,4-5,10-11,15H2,1-3H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine?
3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine has a molecular weight of 237.34 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine is sourced from PubChem (CID 64571644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).