1-(3-methylphenoxy)-N-propylbutan-2-amine

C14H23NO — CID 62038069

IUPAC1-(3-methylphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-9-15-13(5-2)11-16-14-8-6-7-12(3)10-14/h6-8,10,13,15H,4-5,9,11H2,1-3H3
InChIKeyKQXHYKPZTQFTGY-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds7

About 1-(3-methylphenoxy)-N-propylbutan-2-amine

1-(3-methylphenoxy)-N-propylbutan-2-amine (PubChem CID 62038069) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-methylphenoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3-methylphenoxy)-N-propylbutan-2-amine
PubChem CID62038069
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-methylphenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-9-15-13(5-2)11-16-14-8-6-7-12(3)10-14/h6-8,10,13,15H,4-5,9,11H2,1-3H3
InChIKeyKQXHYKPZTQFTGY-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 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-(3-methylphenoxy)butan-2-amine
CID 62038283
1-(4-chloro-3-methylphenoxy)-N-propylbutan-2-amine
CID 62040001
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818
1-(3-methyl-4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475949
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(3-methylphenoxy)-N-propyloct-6-yn-3-amine
CID 105181630
1-(2,6-difluorophenoxy)-N-propylbutan-2-amine
CID 81268673
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
3,4,5-trimethoxy-N-[(2S)-1-(3-methylphenoxy)butan-2-yl]benzamide
CID 96564662

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(3-methylphenoxy)-N-propylbutan-2-amine (CID 62038069) is 1-(3-methylphenoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3-methylphenoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(3-methylphenoxy)-N-propylbutan-2-amine is CCCNC(CC)COc1cccc(C)c1.
What is the InChIKey of 1-(3-methylphenoxy)-N-propylbutan-2-amine?
The InChIKey is KQXHYKPZTQFTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-9-15-13(5-2)11-16-14-8-6-7-12(3)10-14/h6-8,10,13,15H,4-5,9,11H2,1-3H3.
What are the key properties of 1-(3-methylphenoxy)-N-propylbutan-2-amine?
1-(3-methylphenoxy)-N-propylbutan-2-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-(3-methylphenoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 62038069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).