2-[4-(3-methoxybutyl)phenyl]ethanamine

C13H21NO — CID 117110832

IUPAC2-[4-(3-methoxybutyl)phenyl]ethanamine
SMILESCOC(C)CCc1ccc(CCN)cc1
InChIInChI=1S/C13H21NO/c1-11(15-2)3-4-12-5-7-13(8-6-12)9-10-14/h5-8,11H,3-4,9-10,14H2,1-2H3
InChIKeyFVBXQSZPQKWPQJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-(3-methoxybutyl)phenyl]ethanamine

2-[4-(3-methoxybutyl)phenyl]ethanamine (PubChem CID 117110832) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-(3-methoxybutyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxybutyl)phenyl]ethanamine
PubChem CID117110832
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[4-(3-methoxybutyl)phenyl]ethanamine
SMILESCOC(C)CCc1ccc(CCN)cc1
InChIInChI=1S/C13H21NO/c1-11(15-2)3-4-12-5-7-13(8-6-12)9-10-14/h5-8,11H,3-4,9-10,14H2,1-2H3
InChIKeyFVBXQSZPQKWPQJ-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-5-phenethyltetrahydrofuran
CID 11506691
2-(2''-Aminoethyl)-5-benzyltetrahydrofuran
CID 11672904
Benzenepentanol, delta-amino-
CID 99992
2-(4-Hexylphenyl)ethanamine
CID 417590
2-Aminoethyl-5-(4''-fluoro-3''-methylphenethyl)tetrahydrofuran
CID 11694495
1-Methoxy-3-phenylpropan-2-amine
CID 5106602
3(S)-Amino-4-phenyl-butan-2(S)-OL
CID 13949633
2-(4-benzyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 16192589
2-Amino-4-(4-octylphenyl)butan-1-ol
CID 10064206
(2R)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 11608833
(2S)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 54149192
1-(4-Phenyloxan-4-yl)methanamine
CID 6483779

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxybutyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-methoxybutyl)phenyl]ethanamine (CID 117110832) is 2-[4-(3-methoxybutyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-methoxybutyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-methoxybutyl)phenyl]ethanamine is COC(C)CCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(3-methoxybutyl)phenyl]ethanamine?
The InChIKey is FVBXQSZPQKWPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(15-2)3-4-12-5-7-13(8-6-12)9-10-14/h5-8,11H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-[4-(3-methoxybutyl)phenyl]ethanamine?
2-[4-(3-methoxybutyl)phenyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxybutyl)phenyl]ethanamine is sourced from PubChem (CID 117110832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).