2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine

C15H25NO — CID 82111067

IUPAC2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine
SMILESCCOc1ccc(CC(CC)(CC)CN)cc1
InChIInChI=1S/C15H25NO/c1-4-15(5-2,12-16)11-13-7-9-14(10-8-13)17-6-3/h7-10H,4-6,11-12,16H2,1-3H3
InChIKeyVXORVCSAVLTZKR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.39
Rot. Bonds7

About 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine

2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine (PubChem CID 82111067) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine
PubChem CID82111067
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine
SMILESCCOc1ccc(CC(CC)(CC)CN)cc1
InChIInChI=1S/C15H25NO/c1-4-15(5-2,12-16)11-13-7-9-14(10-8-13)17-6-3/h7-10H,4-6,11-12,16H2,1-3H3
InChIKeyVXORVCSAVLTZKR-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62724100
3-(4-ethoxyphenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752096
1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
CID 94681273
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
2-[(4-ethoxyphenoxy)methyl]-2-ethylbutane-1-sulfonamide
CID 65003642
2-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62724504
3-(4-ethoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 84752230
2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
1-[2-(bromomethyl)-2-ethylbutoxy]-4-ethoxybenzene
CID 64998942
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930
4-(4-bromophenoxy)-2,2-diethylbutan-1-amine
CID 55106538

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine (CID 82111067) is 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine is CCOc1ccc(CC(CC)(CC)CN)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine?
The InChIKey is VXORVCSAVLTZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-15(5-2,12-16)11-13-7-9-14(10-8-13)17-6-3/h7-10H,4-6,11-12,16H2,1-3H3.
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine?
2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 82111067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).