4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine

C17H29NO — CID 64708098

IUPAC4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C17H29NO/c1-6-11-18-14(4)12-15(5)19-17-10-8-7-9-16(17)13(2)3/h7-10,13-15,18H,6,11-12H2,1-5H3
InChIKeySBYMEDDFOCCORF-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.36
Rot. Bonds8

About 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine

4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine (PubChem CID 64708098) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
PubChem CID64708098
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C17H29NO/c1-6-11-18-14(4)12-15(5)19-17-10-8-7-9-16(17)13(2)3/h7-10,13-15,18H,6,11-12H2,1-5H3
InChIKeySBYMEDDFOCCORF-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethylphenoxy)-N-propylpentan-2-amine
CID 64720460
4-(2,3-dimethylphenoxy)-N-propylpentan-2-amine
CID 64707882
1-[2-(4-methylpentan-2-yloxy)phenyl]-N-propylpropan-1-amine
CID 115995505
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033
N-propyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719580
1-methoxy-3-(2-propan-2-ylphenoxy)-N-propylpropan-2-amine
CID 107506613
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
4-methoxy-1-(2-propan-2-yloxyphenyl)-N-propylpentan-1-amine
CID 105170923
N-methyl-2-propan-2-yl-N-[2-(2-propan-2-ylphenoxy)propyl]aniline
CID 138545662
N-[1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 80604477
3-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 66437216
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine?
The IUPAC name of 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine (CID 64708098) is 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine?
The canonical SMILES for 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine is CCCNC(C)CC(C)Oc1ccccc1C(C)C.
What is the InChIKey of 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine?
The InChIKey is SBYMEDDFOCCORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-11-18-14(4)12-15(5)19-17-10-8-7-9-16(17)13(2)3/h7-10,13-15,18H,6,11-12H2,1-5H3.
What are the key properties of 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine?
4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine has a molecular weight of 263.42 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine is sourced from PubChem (CID 64708098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).