3-[3-(2-methoxypropyl)phenyl]butan-1-amine

C14H23NO — CID 115113519

IUPAC3-[3-(2-methoxypropyl)phenyl]butan-1-amine
SMILESCOC(C)Cc1cccc(C(C)CCN)c1
InChIInChI=1S/C14H23NO/c1-11(7-8-15)14-6-4-5-13(10-14)9-12(2)16-3/h4-6,10-12H,7-9,15H2,1-3H3
InChIKeyZEJQSIYMSJHYLT-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.72
Rot. Bonds6

About 3-[3-(2-methoxypropyl)phenyl]butan-1-amine

3-[3-(2-methoxypropyl)phenyl]butan-1-amine (PubChem CID 115113519) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[3-(2-methoxypropyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxypropyl)phenyl]butan-1-amine
PubChem CID115113519
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[3-(2-methoxypropyl)phenyl]butan-1-amine
SMILESCOC(C)Cc1cccc(C(C)CCN)c1
InChIInChI=1S/C14H23NO/c1-11(7-8-15)14-6-4-5-13(10-14)9-12(2)16-3/h4-6,10-12H,7-9,15H2,1-3H3
InChIKeyZEJQSIYMSJHYLT-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-fluoro-2-methylpropyl)phenyl]butan-1-amine
CID 117320874
3-(3-hexylphenyl)butan-1-amine
CID 130373287
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
3-[3-(2-methoxypropan-2-yl)phenyl]butan-1-amine
CID 115113501
3-[3-(3,4-dimethoxyphenyl)phenyl]butan-1-amine
CID 82542335
methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
CID 115004244
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
[1-(3-ethylphenyl)-4-methoxypentyl]hydrazine
CID 105326321
3-[4-(2-methoxypropyl)phenyl]propan-1-amine
CID 117296745

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxypropyl)phenyl]butan-1-amine?
The IUPAC name of 3-[3-(2-methoxypropyl)phenyl]butan-1-amine (CID 115113519) is 3-[3-(2-methoxypropyl)phenyl]butan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxypropyl)phenyl]butan-1-amine?
The canonical SMILES for 3-[3-(2-methoxypropyl)phenyl]butan-1-amine is COC(C)Cc1cccc(C(C)CCN)c1.
What is the InChIKey of 3-[3-(2-methoxypropyl)phenyl]butan-1-amine?
The InChIKey is ZEJQSIYMSJHYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(7-8-15)14-6-4-5-13(10-14)9-12(2)16-3/h4-6,10-12H,7-9,15H2,1-3H3.
What are the key properties of 3-[3-(2-methoxypropyl)phenyl]butan-1-amine?
3-[3-(2-methoxypropyl)phenyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxypropyl)phenyl]butan-1-amine is sourced from PubChem (CID 115113519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).