3-(2-methoxyphenyl)-N-propylbutan-2-amine

C14H23NO — CID 66437216

IUPAC3-(2-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ccccc1OC
InChIInChI=1S/C14H23NO/c1-5-10-15-12(3)11(2)13-8-6-7-9-14(13)16-4/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyRIDQBFFUHYQJTQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.19
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-propylbutan-2-amine

3-(2-methoxyphenyl)-N-propylbutan-2-amine (PubChem CID 66437216) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-propylbutan-2-amine
PubChem CID66437216
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(2-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ccccc1OC
InChIInChI=1S/C14H23NO/c1-5-10-15-12(3)11(2)13-8-6-7-9-14(13)16-4/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyRIDQBFFUHYQJTQ-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-propylbutan-2-amine
CID 66438971
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
N-[2,2-dimethoxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79493375
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
N-ethyl-2-(2-methoxyphenyl)hexan-3-amine
CID 83050697
N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763360
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
3-N-[1-(2-methoxyphenyl)propan-2-yl]-3-N-methyl-2-N-propylbutane-2,3-diamine
CID 65487593
2-(2-ethoxyphenyl)-N-propylhexan-3-amine
CID 83050810
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 55040870
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
N-[(2-chloro-3-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 115793334

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-propylbutan-2-amine?
The IUPAC name of 3-(2-methoxyphenyl)-N-propylbutan-2-amine (CID 66437216) is 3-(2-methoxyphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-N-propylbutan-2-amine is CCCNC(C)C(C)c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-N-propylbutan-2-amine?
The InChIKey is RIDQBFFUHYQJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-10-15-12(3)11(2)13-8-6-7-9-14(13)16-4/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of 3-(2-methoxyphenyl)-N-propylbutan-2-amine?
3-(2-methoxyphenyl)-N-propylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 66437216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).