2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine

C16H25NO — CID 55136665

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
SMILESCOc1ccc(C)cc1CC1CCCCCC1N
InChIInChI=1S/C16H25NO/c1-12-8-9-16(18-2)14(10-12)11-13-6-4-3-5-7-15(13)17/h8-10,13,15H,3-7,11,17H2,1-2H3
InChIKeyDPFXLNKROWGASD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.45
Rot. Bonds3

About 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine

2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine (PubChem CID 55136665) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
PubChem CID55136665
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
SMILESCOc1ccc(C)cc1CC1CCCCCC1N
InChIInChI=1S/C16H25NO/c1-12-8-9-16(18-2)14(10-12)11-13-6-4-3-5-7-15(13)17/h8-10,13,15H,3-7,11,17H2,1-2H3
InChIKeyDPFXLNKROWGASD-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
4-[(2-methoxy-5-methylphenyl)methyl]thiolan-3-amine
CID 83196810
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81026863
2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 82383669
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 80603088
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81021831
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 82485335
1-cyclooctyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 80610569
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-ol
CID 62161726

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine (CID 55136665) is 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine is COc1ccc(C)cc1CC1CCCCCC1N.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine?
The InChIKey is DPFXLNKROWGASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-9-16(18-2)14(10-12)11-13-6-4-3-5-7-15(13)17/h8-10,13,15H,3-7,11,17H2,1-2H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine?
2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 55136665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).