3-(2-methoxyphenyl)-2-methylpropan-1-amine

C11H17NO — CID 22024848

IUPAC3-(2-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccccc1CC(C)CN
InChIInChI=1S/C11H17NO/c1-9(8-12)7-10-5-3-4-6-11(10)13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKeyCIHYBJKZTONQFJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-methoxyphenyl)-2-methylpropan-1-amine

3-(2-methoxyphenyl)-2-methylpropan-1-amine (PubChem CID 22024848) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methylpropan-1-amine
PubChem CID22024848
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(2-methoxyphenyl)-2-methylpropan-1-amine
SMILESCOc1ccccc1CC(C)CN
InChIInChI=1S/C11H17NO/c1-9(8-12)7-10-5-3-4-6-11(10)13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKeyCIHYBJKZTONQFJ-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2-ethoxyphenyl)-2-methylpropan-1-amine
CID 42325849
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(4-bromo-2-methylpentyl)-2-methoxybenzene
CID 64721690
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
N-[(2S)-1-aminopropan-2-yl]-4-(2-methoxyphenyl)-3-methylbutanamide
CID 120504695
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
[(2R)-1-(2-methoxyphenyl)propan-2-yl]azanium
CID 7432380
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 65483502

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methylpropan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-2-methylpropan-1-amine (CID 22024848) is 3-(2-methoxyphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methylpropan-1-amine is COc1ccccc1CC(C)CN.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methylpropan-1-amine?
The InChIKey is CIHYBJKZTONQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(8-12)7-10-5-3-4-6-11(10)13-2/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-2-methylpropan-1-amine?
3-(2-methoxyphenyl)-2-methylpropan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 22024848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).