2-(3,4-dimethylphenoxy)propan-1-amine

C11H17NO — CID 17169740

IUPAC2-(3,4-dimethylphenoxy)propan-1-amine
SMILESCc1ccc(OC(C)CN)cc1C
InChIInChI=1S/C11H17NO/c1-8-4-5-11(6-9(8)2)13-10(3)7-12/h4-6,10H,7,12H2,1-3H3
InChIKeyUHWNETBQPWKEAG-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.03
Rot. Bonds3

About 2-(3,4-dimethylphenoxy)propan-1-amine

2-(3,4-dimethylphenoxy)propan-1-amine (PubChem CID 17169740) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)propan-1-amine
PubChem CID17169740
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3,4-dimethylphenoxy)propan-1-amine
SMILESCc1ccc(OC(C)CN)cc1C
InChIInChI=1S/C11H17NO/c1-8-4-5-11(6-9(8)2)13-10(3)7-12/h4-6,10H,7,12H2,1-3H3
InChIKeyUHWNETBQPWKEAG-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
CID 86262702
N-[2-(3,4-dimethylphenoxy)propyl]butan-2-amine
CID 55092854
4-(3,4-dimethylphenoxy)-N-ethylpentan-2-amine
CID 64707887
2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine
CID 82045172
2-(3,4-dimethylphenoxy)-N-prop-2-ynylpropan-1-amine
CID 62573056
2-(1,3-benzodioxol-5-yloxy)propan-1-amine
CID 22688832
2-(3,4-dimethylphenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453580
6-(1-aminopropan-2-yloxy)-1-benzofuran-3-one
CID 82507298
2-(3,4-dimethylphenoxy)-N-(3-ethoxypropyl)propan-1-amine
CID 62572748
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
2-methoxy-4-[(2R)-1-methoxypropan-2-yl]oxy-1-methylbenzene
CID 70331911
2-methyl-4-pentan-2-yloxyaniline
CID 102980398

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)propan-1-amine?
The IUPAC name of 2-(3,4-dimethylphenoxy)propan-1-amine (CID 17169740) is 2-(3,4-dimethylphenoxy)propan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)propan-1-amine?
The canonical SMILES for 2-(3,4-dimethylphenoxy)propan-1-amine is Cc1ccc(OC(C)CN)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)propan-1-amine?
The InChIKey is UHWNETBQPWKEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-4-5-11(6-9(8)2)13-10(3)7-12/h4-6,10H,7,12H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)propan-1-amine?
2-(3,4-dimethylphenoxy)propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)propan-1-amine is sourced from PubChem (CID 17169740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).