3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine

C17H29NO — CID 116718126

IUPAC3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
SMILESCCCC(OCC)C(Cc1cccc(C)c1)NCC
InChIInChI=1S/C17H29NO/c1-5-9-17(19-7-3)16(18-6-2)13-15-11-8-10-14(4)12-15/h8,10-12,16-18H,5-7,9,13H2,1-4H3
InChIKeyVGFAGGALGCCQKN-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.72
Rot. Bonds9

About 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine

3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine (PubChem CID 116718126) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
PubChem CID116718126
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine
SMILESCCCC(OCC)C(Cc1cccc(C)c1)NCC
InChIInChI=1S/C17H29NO/c1-5-9-17(19-7-3)16(18-6-2)13-15-11-8-10-14(4)12-15/h8,10-12,16-18H,5-7,9,13H2,1-4H3
InChIKeyVGFAGGALGCCQKN-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
N-ethyl-3-methoxy-1-(3-methylphenyl)pentan-2-amine
CID 116715829
3-ethoxy-N-ethyl-1-pyridin-3-ylhexan-2-amine
CID 116718024
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
1-(4-bromophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718032
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
3-ethoxy-1-(3-methylphenyl)pentan-2-ol
CID 116711208
3-ethoxy-1-(3-methylphenyl)pentan-2-amine
CID 116716414
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
N-ethyl-1-(3-methylphenyl)-4-propan-2-yloxybutan-2-amine
CID 115003052
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717956

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine (CID 116718126) is 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine is CCCC(OCC)C(Cc1cccc(C)c1)NCC.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine?
The InChIKey is VGFAGGALGCCQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-9-17(19-7-3)16(18-6-2)13-15-11-8-10-14(4)12-15/h8,10-12,16-18H,5-7,9,13H2,1-4H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine?
3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(3-methylphenyl)hexan-2-amine is sourced from PubChem (CID 116718126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).