4-(2-ethylphenoxy)-N-propylpentan-2-amine

C16H27NO — CID 64720460

IUPAC4-(2-ethylphenoxy)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Oc1ccccc1CC
InChIInChI=1S/C16H27NO/c1-5-11-17-13(3)12-14(4)18-16-10-8-7-9-15(16)6-2/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyRSGQGYLBZSEEHY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.79
Rot. Bonds8

About 4-(2-ethylphenoxy)-N-propylpentan-2-amine

4-(2-ethylphenoxy)-N-propylpentan-2-amine (PubChem CID 64720460) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-N-propylpentan-2-amine
PubChem CID64720460
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(2-ethylphenoxy)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Oc1ccccc1CC
InChIInChI=1S/C16H27NO/c1-5-11-17-13(3)12-14(4)18-16-10-8-7-9-15(16)6-2/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyRSGQGYLBZSEEHY-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
CID 64708098
2-(2-ethylphenoxy)-N-propylpropan-1-amine
CID 62486791
4-(2,3-dimethylphenoxy)-N-propylpentan-2-amine
CID 64707882
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
N-[2-(2-ethylphenoxy)propyl]pentan-1-amine
CID 63517041
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
CID 115995505
N-propyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719580
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
1-(2-ethylphenoxy)ethanol
CID 154419184
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-N-propylpentan-2-amine?
The IUPAC name of 4-(2-ethylphenoxy)-N-propylpentan-2-amine (CID 64720460) is 4-(2-ethylphenoxy)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(2-ethylphenoxy)-N-propylpentan-2-amine?
The canonical SMILES for 4-(2-ethylphenoxy)-N-propylpentan-2-amine is CCCNC(C)CC(C)Oc1ccccc1CC.
What is the InChIKey of 4-(2-ethylphenoxy)-N-propylpentan-2-amine?
The InChIKey is RSGQGYLBZSEEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-11-17-13(3)12-14(4)18-16-10-8-7-9-15(16)6-2/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 4-(2-ethylphenoxy)-N-propylpentan-2-amine?
4-(2-ethylphenoxy)-N-propylpentan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-N-propylpentan-2-amine is sourced from PubChem (CID 64720460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).