2-(2-methoxyphenyl)-4-methylpentan-3-amine

C13H21NO — CID 79299473

IUPAC2-(2-methoxyphenyl)-4-methylpentan-3-amine
SMILESCOc1ccccc1C(C)C(N)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)13(14)10(3)11-7-5-6-8-12(11)15-4/h5-10,13H,14H2,1-4H3
InChIKeyCZVOQLIOSCERDC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-methoxyphenyl)-4-methylpentan-3-amine

2-(2-methoxyphenyl)-4-methylpentan-3-amine (PubChem CID 79299473) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-methylpentan-3-amine
PubChem CID79299473
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(2-methoxyphenyl)-4-methylpentan-3-amine
SMILESCOc1ccccc1C(C)C(N)C(C)C
InChIInChI=1S/C13H21NO/c1-9(2)13(14)10(3)11-7-5-6-8-12(11)15-4/h5-10,13H,14H2,1-4H3
InChIKeyCZVOQLIOSCERDC-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorobutan-2-yl)-2-methoxybenzene
CID 66470656
1-(3-bromobutan-2-yl)-2-methoxybenzene
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(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-methylpentan-3-amine?
The IUPAC name of 2-(2-methoxyphenyl)-4-methylpentan-3-amine (CID 79299473) is 2-(2-methoxyphenyl)-4-methylpentan-3-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-methylpentan-3-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-4-methylpentan-3-amine is COc1ccccc1C(C)C(N)C(C)C.
What is the InChIKey of 2-(2-methoxyphenyl)-4-methylpentan-3-amine?
The InChIKey is CZVOQLIOSCERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-9(2)13(14)10(3)11-7-5-6-8-12(11)15-4/h5-10,13H,14H2,1-4H3.
What are the key properties of 2-(2-methoxyphenyl)-4-methylpentan-3-amine?
2-(2-methoxyphenyl)-4-methylpentan-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-methylpentan-3-amine is sourced from PubChem (CID 79299473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).