2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine

C14H23NO — CID 62724504

IUPAC2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-14(5-2,11-15)10-12-7-6-8-13(9-12)16-3/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyLXWVULLVFYINIB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds6

About 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine

2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine (PubChem CID 62724504) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
PubChem CID62724504
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1cccc(OC)c1
InChIInChI=1S/C14H23NO/c1-4-14(5-2,11-15)10-12-7-6-8-13(9-12)16-3/h6-9H,4-5,10-11,15H2,1-3H3
InChIKeyLXWVULLVFYINIB-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N'-[(3-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 55055981
3-(3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 86277152
2-[(3-methoxyphenyl)methyl]-2-methylpentan-1-amine
CID 62724090
2-fluoro-2-[(3-methoxyphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 112566569
1-methoxy-3-propylbenzene
CID 14270128
1-methoxy-2-[(3-methoxyphenyl)methyl]butan-2-ol
CID 65149549
2-[(3-methoxyphenyl)methyl]-2-methylbutanenitrile
CID 65378065
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
CID 66432579
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-2-propylpentane-1,2-diamine
CID 61420226
1-(3-methoxyphenyl)-N,2-dimethylpropan-2-amine
CID 82125732
3-(3-methoxyphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 84746685

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine (CID 62724504) is 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine is CCC(CC)(CN)Cc1cccc(OC)c1.
What is the InChIKey of 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The InChIKey is LXWVULLVFYINIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(5-2,11-15)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 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62724504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).