2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine

C14H23NO — CID 62596783

IUPAC2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-5-14(6-2,11-15-3)12-7-9-13(16-4)10-8-12/h7-10,15H,5-6,11H2,1-4H3
InChIKeyPDNSOQKTWUCBBC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds6

About 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine

2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine (PubChem CID 62596783) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
PubChem CID62596783
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine
SMILESCCC(CC)(CNC)c1ccc(OC)cc1
InChIInChI=1S/C14H23NO/c1-5-14(6-2,11-15-3)12-7-9-13(16-4)10-8-12/h7-10,15H,5-6,11H2,1-4H3
InChIKeyPDNSOQKTWUCBBC-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol
CID 66090969
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2,3-dichloro-N-[2-ethyl-2-(4-methoxyphenyl)butyl]benzamide
CID 144603664
1-(4-methoxyphenoxy)-N-methylmethanamine
CID 22961125
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
1-(1,1-diethoxypropyl)-4-methoxybenzene
CID 56637922
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propyl]phenol
CID 22051947
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
CID 58775978

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine (CID 62596783) is 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine is CCC(CC)(CNC)c1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine?
The InChIKey is PDNSOQKTWUCBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-14(6-2,11-15-3)12-7-9-13(16-4)10-8-12/h7-10,15H,5-6,11H2,1-4H3.
What are the key properties of 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine?
2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-methoxyphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 62596783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).