3-[(4-methoxyphenyl)methoxy]pentan-1-amine

C13H21NO2 — CID 43428425

IUPAC3-[(4-methoxyphenyl)methoxy]pentan-1-amine
SMILESCCC(CCN)OCc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-12(8-9-14)16-10-11-4-6-13(15-2)7-5-11/h4-7,12H,3,8-10,14H2,1-2H3
InChIKeyQVLLPGRIOHKMTE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.34
Rot. Bonds7

About 3-[(4-methoxyphenyl)methoxy]pentan-1-amine

3-[(4-methoxyphenyl)methoxy]pentan-1-amine (PubChem CID 43428425) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]pentan-1-amine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]pentan-1-amine
PubChem CID43428425
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[(4-methoxyphenyl)methoxy]pentan-1-amine
SMILESCCC(CCN)OCc1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-12(8-9-14)16-10-11-4-6-13(15-2)7-5-11/h4-7,12H,3,8-10,14H2,1-2H3
InChIKeyQVLLPGRIOHKMTE-UHFFFAOYSA-N
XLogP2.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943
ethane;(3S)-3-[(4-methylphenyl)methoxy]hexan-1-amine
CID 169195636
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
1-(5-ethylnonan-2-yloxymethyl)-4-methoxybenzene
CID 123645301
ethyl 2-[(4-methoxyphenyl)methoxy]butanoate
CID 64663670
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
[(2R)-4-hydroxy-2-[(4-methoxyphenyl)methoxy]butyl] acetate
CID 11448551
2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine
CID 102987139
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
CID 146253972
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]pentan-1-amine?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]pentan-1-amine (CID 43428425) is 3-[(4-methoxyphenyl)methoxy]pentan-1-amine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]pentan-1-amine?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]pentan-1-amine is CCC(CCN)OCc1ccc(OC)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]pentan-1-amine?
The InChIKey is QVLLPGRIOHKMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-12(8-9-14)16-10-11-4-6-13(15-2)7-5-11/h4-7,12H,3,8-10,14H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]pentan-1-amine?
3-[(4-methoxyphenyl)methoxy]pentan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]pentan-1-amine is sourced from PubChem (CID 43428425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).