2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol

C16H26N2O2 — CID 102632563

IUPAC2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
SMILESCOc1cccc(N(C)C2CCCCC2O)c1[C@@H](C)N
InChIInChI=1S/C16H26N2O2/c1-11(17)16-13(8-6-10-15(16)20-3)18(2)12-7-4-5-9-14(12)19/h6,8,10-12,14,19H,4-5,7,9,17H2,1-3H3/t11-,12?,14?/m1/s1
InChIKeyVSJSBPHSEBPRLS-LKSINWNRSA-N
MW278.40 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol

2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol (PubChem CID 102632563) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
PubChem CID102632563
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol
SMILESCOc1cccc(N(C)C2CCCCC2O)c1[C@@H](C)N
InChIInChI=1S/C16H26N2O2/c1-11(17)16-13(8-6-10-15(16)20-3)18(2)12-7-4-5-9-14(12)19/h6,8,10-12,14,19H,4-5,7,9,17H2,1-3H3/t11-,12?,14?/m1/s1
InChIKeyVSJSBPHSEBPRLS-LKSINWNRSA-N
XLogP2.45
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-[cyclobutyl(methyl)amino]-6-methoxyphenyl]ethanol
CID 104873566
2-(4-amino-3-methoxy-N-methylanilino)cyclohexan-1-ol
CID 102631429
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 104552391
3-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]propan-1-ol
CID 114230283
2-[(1R)-1-aminoethyl]-3-methoxy-N-methyl-N-pentan-2-ylaniline
CID 113388975
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
2-[2-[1-(ethylamino)ethyl]-N-methylanilino]cyclohexan-1-ol
CID 102632638
5-[2-(1-aminoethyl)-3-methoxy-N-methylanilino]pentan-1-ol
CID 107200460
trans-(1S,2S)-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]cyclohexan-1-ol
CID 102732198
2-[(1S)-1-aminoethyl]-3-methoxy-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 113389035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol (CID 102632563) is 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol is COc1cccc(N(C)C2CCCCC2O)c1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol?
The InChIKey is VSJSBPHSEBPRLS-LKSINWNRSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(17)16-13(8-6-10-15(16)20-3)18(2)12-7-4-5-9-14(12)19/h6,8,10-12,14,19H,4-5,7,9,17H2,1-3H3/t11-,12?,14?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol?
2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-3-methoxy-N-methylanilino]cyclohexan-1-ol is sourced from PubChem (CID 102632563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).