1-(3-propan-2-yloxyphenyl)pentan-1-amine

C14H23NO — CID 79016250

IUPAC1-(3-propan-2-yloxyphenyl)pentan-1-amine
SMILESCCCCC(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H23NO/c1-4-5-9-14(15)12-7-6-8-13(10-12)16-11(2)3/h6-8,10-11,14H,4-5,9,15H2,1-3H3
InChIKeyXMWVZBAQSWMBHJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.66
Rot. Bonds6

About 1-(3-propan-2-yloxyphenyl)pentan-1-amine

1-(3-propan-2-yloxyphenyl)pentan-1-amine (PubChem CID 79016250) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)pentan-1-amine
PubChem CID79016250
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-propan-2-yloxyphenyl)pentan-1-amine
SMILESCCCCC(N)c1cccc(OC(C)C)c1
InChIInChI=1S/C14H23NO/c1-4-5-9-14(15)12-7-6-8-13(10-12)16-11(2)3/h6-8,10-11,14H,4-5,9,15H2,1-3H3
InChIKeyXMWVZBAQSWMBHJ-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propan-2-yloxyphenyl)-3-propoxypropan-1-amine
CID 105171328
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103148997
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
N-[1-(3-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
1-(3-octan-2-yloxyphenyl)ethanamine
CID 79168344
1-N-(3-propan-2-yloxyphenyl)hexane-1,2-diamine
CID 83961389
1-(3-ethoxyphenyl)-5-methylhexan-1-amine
CID 83161762
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)pentan-1-amine?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)pentan-1-amine (CID 79016250) is 1-(3-propan-2-yloxyphenyl)pentan-1-amine.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)pentan-1-amine?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)pentan-1-amine is CCCCC(N)c1cccc(OC(C)C)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)pentan-1-amine?
The InChIKey is XMWVZBAQSWMBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-9-14(15)12-7-6-8-13(10-12)16-11(2)3/h6-8,10-11,14H,4-5,9,15H2,1-3H3.
What are the key properties of 1-(3-propan-2-yloxyphenyl)pentan-1-amine?
1-(3-propan-2-yloxyphenyl)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)pentan-1-amine is sourced from PubChem (CID 79016250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).