3-ethoxy-1-(3-methylphenyl)pentan-2-amine

C14H23NO — CID 116716414

IUPAC3-ethoxy-1-(3-methylphenyl)pentan-2-amine
SMILESCCOC(CC)C(N)Cc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-14(16-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-14H,4-5,10,15H2,1-3H3
InChIKeyNYYMJGVZWJENQV-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.68
Rot. Bonds6

About 3-ethoxy-1-(3-methylphenyl)pentan-2-amine

3-ethoxy-1-(3-methylphenyl)pentan-2-amine (PubChem CID 116716414) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-ethoxy-1-(3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(3-methylphenyl)pentan-2-amine
PubChem CID116716414
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-ethoxy-1-(3-methylphenyl)pentan-2-amine
SMILESCCOC(CC)C(N)Cc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-14(16-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-14H,4-5,10,15H2,1-3H3
InChIKeyNYYMJGVZWJENQV-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715238
3-ethoxy-1-(3-methylphenyl)pentan-2-ol
CID 116711208
3-methyl-1-(3-methylphenyl)pentan-2-amine
CID 62388327
2-ethoxy-1-(3-methylphenyl)butan-1-amine
CID 116716374
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
1-(4-bromophenyl)-3-ethoxypentan-2-amine
CID 116716310
1,1-diethoxy-3-(3-methylphenyl)propan-2-ol
CID 79496151
ethyl (2R)-2-amino-3-(3-methylphenyl)propanoate
CID 92959953
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
CID 116718126
4,4,4-trifluoro-1-(3-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311693
2-ethoxy-3-(3-methylphenyl)propanoic acid
CID 84722685
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-methylphenyl)pentan-2-amine?
The IUPAC name of 3-ethoxy-1-(3-methylphenyl)pentan-2-amine (CID 116716414) is 3-ethoxy-1-(3-methylphenyl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(3-methylphenyl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(3-methylphenyl)pentan-2-amine is CCOC(CC)C(N)Cc1cccc(C)c1.
What is the InChIKey of 3-ethoxy-1-(3-methylphenyl)pentan-2-amine?
The InChIKey is NYYMJGVZWJENQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(16-5-2)13(15)10-12-8-6-7-11(3)9-12/h6-9,13-14H,4-5,10,15H2,1-3H3.
What are the key properties of 3-ethoxy-1-(3-methylphenyl)pentan-2-amine?
3-ethoxy-1-(3-methylphenyl)pentan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 116716414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).