(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate

C16H23NO3 — CID 83216143

IUPAC(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
SMILESCOc1cccc(COC(=O)C2(C)CCCCC2N)c1
InChIInChI=1S/C16H23NO3/c1-16(9-4-3-8-14(16)17)15(18)20-11-12-6-5-7-13(10-12)19-2/h5-7,10,14H,3-4,8-9,11,17H2,1-2H3
InChIKeyKEDNQIOVVLPMEU-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.65
Rot. Bonds4

About (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate

(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate (PubChem CID 83216143) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
PubChem CID83216143
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
SMILESCOc1cccc(COC(=O)C2(C)CCCCC2N)c1
InChIInChI=1S/C16H23NO3/c1-16(9-4-3-8-14(16)17)15(18)20-11-12-6-5-7-13(10-12)19-2/h5-7,10,14H,3-4,8-9,11,17H2,1-2H3
InChIKeyKEDNQIOVVLPMEU-UHFFFAOYSA-N
XLogP2.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762798
(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824967
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 102639186
benzyl 2-hydroxy-1-methylcyclohexane-1-carboxylate
CID 131741828
(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824672
(3-methoxyphenyl)methyl 2,2-dichlorocyclopropane-1-carboxylate
CID 78790601
trans-(1R,2R)-2-(3-methoxyphenyl)-2-methylcyclohexan-1-amine
CID 121227280
(3-methoxyphenyl)methyl (2R)-piperidine-2-carboxylate
CID 79034994
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
(2-amino-1-methylcyclopentyl)-(4-methoxyphenyl)methanone
CID 116607273
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate (CID 83216143) is (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate is COc1cccc(COC(=O)C2(C)CCCCC2N)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate?
The InChIKey is KEDNQIOVVLPMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(9-4-3-8-14(16)17)15(18)20-11-12-6-5-7-13(10-12)19-2/h5-7,10,14H,3-4,8-9,11,17H2,1-2H3.
What are the key properties of (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate?
(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 83216143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).