4-(2-propoxyphenyl)-N-propylbutan-2-amine

C16H27NO — CID 104662724

IUPAC4-(2-propoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1ccccc1OCCC
InChIInChI=1S/C16H27NO/c1-4-12-17-14(3)10-11-15-8-6-7-9-16(15)18-13-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyUISPHDJAVNSHBZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.80
Rot. Bonds9

About 4-(2-propoxyphenyl)-N-propylbutan-2-amine

4-(2-propoxyphenyl)-N-propylbutan-2-amine (PubChem CID 104662724) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(2-propoxyphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2-propoxyphenyl)-N-propylbutan-2-amine
PubChem CID104662724
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(2-propoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1ccccc1OCCC
InChIInChI=1S/C16H27NO/c1-4-12-17-14(3)10-11-15-8-6-7-9-16(15)18-13-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKeyUISPHDJAVNSHBZ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-phenyl-N-[(2-propoxyphenyl)methyl]butan-2-amine
CID 29221946
1-[[4-(2-propoxyphenyl)butan-2-ylamino]methyl]cyclohexan-1-ol
CID 175883460
4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
CID 64504944
N-methyl-1-(2-propoxyphenyl)pentan-3-amine
CID 104662744
1-(2-propoxyphenyl)pentan-3-amine
CID 104662706
N-propyl-4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 64504717
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
(2R)-N-[(5-bromo-2-propoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 29224851
1-(bromomethyl)-2-propoxybenzene
CID 43141572
2-[2-(pentan-2-ylamino)ethoxy]aniline
CID 107886628
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
CID 58242057

Frequently Asked Questions

What is the IUPAC name of 4-(2-propoxyphenyl)-N-propylbutan-2-amine?
The IUPAC name of 4-(2-propoxyphenyl)-N-propylbutan-2-amine (CID 104662724) is 4-(2-propoxyphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2-propoxyphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(2-propoxyphenyl)-N-propylbutan-2-amine is CCCNC(C)CCc1ccccc1OCCC.
What is the InChIKey of 4-(2-propoxyphenyl)-N-propylbutan-2-amine?
The InChIKey is UISPHDJAVNSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-12-17-14(3)10-11-15-8-6-7-9-16(15)18-13-5-2/h6-9,14,17H,4-5,10-13H2,1-3H3.
What are the key properties of 4-(2-propoxyphenyl)-N-propylbutan-2-amine?
4-(2-propoxyphenyl)-N-propylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 104662724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).