1-(2-propoxyphenyl)pentan-3-amine

C14H23NO — CID 104662706

IUPAC1-(2-propoxyphenyl)pentan-3-amine
SMILESCCCOc1ccccc1CCC(N)CC
InChIInChI=1S/C14H23NO/c1-3-11-16-14-8-6-5-7-12(14)9-10-13(15)4-2/h5-8,13H,3-4,9-11,15H2,1-2H3
InChIKeyJMDSLKHHPWVEKG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds7

About 1-(2-propoxyphenyl)pentan-3-amine

1-(2-propoxyphenyl)pentan-3-amine (PubChem CID 104662706) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)pentan-3-amine.

Molecular Properties

Compound Name1-(2-propoxyphenyl)pentan-3-amine
PubChem CID104662706
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-propoxyphenyl)pentan-3-amine
SMILESCCCOc1ccccc1CCC(N)CC
InChIInChI=1S/C14H23NO/c1-3-11-16-14-8-6-5-7-12(14)9-10-13(15)4-2/h5-8,13H,3-4,9-11,15H2,1-2H3
InChIKeyJMDSLKHHPWVEKG-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-propoxyphenyl)pentan-3-amine
CID 104662744
4-(2-propoxyphenyl)-N-propylbutan-2-amine
CID 104662724
6-(5-fluoro-2-propoxyphenyl)hexan-3-amine
CID 83944180
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
[2-(3-aminopentyl)phenyl]methanol
CID 89332740
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
1-(bromomethyl)-2-propoxybenzene
CID 43141572
2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
CID 58242057
1-[2-(2-methoxyethoxy)phenyl]pentan-3-ol
CID 24906226
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)pentan-3-amine?
The IUPAC name of 1-(2-propoxyphenyl)pentan-3-amine (CID 104662706) is 1-(2-propoxyphenyl)pentan-3-amine.
What is the SMILES notation for 1-(2-propoxyphenyl)pentan-3-amine?
The canonical SMILES for 1-(2-propoxyphenyl)pentan-3-amine is CCCOc1ccccc1CCC(N)CC.
What is the InChIKey of 1-(2-propoxyphenyl)pentan-3-amine?
The InChIKey is JMDSLKHHPWVEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-11-16-14-8-6-5-7-12(14)9-10-13(15)4-2/h5-8,13H,3-4,9-11,15H2,1-2H3.
What are the key properties of 1-(2-propoxyphenyl)pentan-3-amine?
1-(2-propoxyphenyl)pentan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)pentan-3-amine is sourced from PubChem (CID 104662706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).