trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine

C16H25NO2 — CID 768564

IUPACtrans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1CCN[C@H]1CCCC[C@@H]1OC
InChIInChI=1S/C16H25NO2/c1-18-15-9-5-3-7-13(15)11-12-17-14-8-4-6-10-16(14)19-2/h3,5,7,9,14,16-17H,4,6,8,10-12H2,1-2H3/t14-,16-/m0/s1
InChIKeyUCPUZQNWLLHCMH-HOCLYGCPSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds6

About trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine

trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine (PubChem CID 768564) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
PubChem CID768564
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nametrans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1CCN[C@H]1CCCC[C@@H]1OC
InChIInChI=1S/C16H25NO2/c1-18-15-9-5-3-7-13(15)11-12-17-14-8-4-6-10-16(14)19-2/h3,5,7,9,14,16-17H,4,6,8,10-12H2,1-2H3/t14-,16-/m0/s1
InChIKeyUCPUZQNWLLHCMH-HOCLYGCPSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768559
2-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1,2-diamine
CID 115118101
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
trans-(1R,2R)-N-[2-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 791642
[(1R,2S)-2-methoxycyclohexyl]-[2-(2-methoxyphenyl)ethyl]azanium
CID 6940711
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2849596
N-[2-(2-methoxyphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914428
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574
N-[2-(3-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 3116423

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine (CID 768564) is trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine is COc1ccccc1CCN[C@H]1CCCC[C@@H]1OC.
What is the InChIKey of trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
The InChIKey is UCPUZQNWLLHCMH-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H25NO2/c1-18-15-9-5-3-7-13(15)11-12-17-14-8-4-6-10-16(14)19-2/h3,5,7,9,14,16-17H,4,6,8,10-12H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine?
trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 768564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).