2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline

C13H19NO — CID 95376142

IUPAC2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
SMILESCOc1ccccc1N[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C13H19NO/c1-10-7-8-11(9-10)14-12-5-3-4-6-13(12)15-2/h3-6,10-11,14H,7-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyJOLZTCYZRHPATN-WDEREUQCSA-N
MW205.30 g/mol
LogP3.30
Rot. Bonds3

About 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline

2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline (PubChem CID 95376142) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline.

Molecular Properties

Compound Name2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
PubChem CID95376142
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
SMILESCOc1ccccc1N[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C13H19NO/c1-10-7-8-11(9-10)14-12-5-3-4-6-13(12)15-2/h3-6,10-11,14H,7-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyJOLZTCYZRHPATN-WDEREUQCSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[(dimethylamino)methyl]-2-methoxy-N-(3-methylcyclopentyl)aniline
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CID 2847498
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CID 63453489
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline?
The IUPAC name of 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline (CID 95376142) is 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline.
What is the SMILES notation for 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline?
The canonical SMILES for 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline is COc1ccccc1N[C@@H]1CC[C@H](C)C1.
What is the InChIKey of 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline?
The InChIKey is JOLZTCYZRHPATN-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-7-8-11(9-10)14-12-5-3-4-6-13(12)15-2/h3-6,10-11,14H,7-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline?
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline has a molecular weight of 205.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline is sourced from PubChem (CID 95376142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).