2-(2-ethoxyphenyl)-N-propylhexan-3-amine

C17H29NO — CID 83050810

IUPAC2-(2-ethoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1ccccc1OCC
InChIInChI=1S/C17H29NO/c1-5-10-16(18-13-6-2)14(4)15-11-8-9-12-17(15)19-7-3/h8-9,11-12,14,16,18H,5-7,10,13H2,1-4H3
InChIKeySMTNEBYNXXSMOD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.36
Rot. Bonds9

About 2-(2-ethoxyphenyl)-N-propylhexan-3-amine

2-(2-ethoxyphenyl)-N-propylhexan-3-amine (PubChem CID 83050810) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-N-propylhexan-3-amine
PubChem CID83050810
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-(2-ethoxyphenyl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)C(C)c1ccccc1OCC
InChIInChI=1S/C17H29NO/c1-5-10-16(18-13-6-2)14(4)15-11-8-9-12-17(15)19-7-3/h8-9,11-12,14,16,18H,5-7,10,13H2,1-4H3
InChIKeySMTNEBYNXXSMOD-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697
N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
2-(2,4-dimethoxyphenyl)-N-propylhexan-3-amine
CID 83050394
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
1-(2-ethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 82923027
1-(2-ethoxyphenyl)-4-methoxy-N-propylbutan-1-amine
CID 65091772
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-N-propylhexan-3-amine?
The IUPAC name of 2-(2-ethoxyphenyl)-N-propylhexan-3-amine (CID 83050810) is 2-(2-ethoxyphenyl)-N-propylhexan-3-amine.
What is the SMILES notation for 2-(2-ethoxyphenyl)-N-propylhexan-3-amine?
The canonical SMILES for 2-(2-ethoxyphenyl)-N-propylhexan-3-amine is CCCNC(CCC)C(C)c1ccccc1OCC.
What is the InChIKey of 2-(2-ethoxyphenyl)-N-propylhexan-3-amine?
The InChIKey is SMTNEBYNXXSMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-10-16(18-13-6-2)14(4)15-11-8-9-12-17(15)19-7-3/h8-9,11-12,14,16,18H,5-7,10,13H2,1-4H3.
What are the key properties of 2-(2-ethoxyphenyl)-N-propylhexan-3-amine?
2-(2-ethoxyphenyl)-N-propylhexan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-N-propylhexan-3-amine is sourced from PubChem (CID 83050810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).