trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine

C22H30N2O2 — CID 71414214

IUPACtrans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
SMILESCOc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1OC
InChIInChI=1S/C22H30N2O2/c1-25-21-13-7-3-9-17(21)15-23-19-11-5-6-12-20(19)24-16-18-10-4-8-14-22(18)26-2/h3-4,7-10,13-14,19-20,23-24H,5-6,11-12,15-16H2,1-2H3/t19-,20-/m1/s1
InChIKeyMVOYULWKDTVYJE-WOJBJXKFSA-N
MW354.49 g/mol
LogP3.89
Rot. Bonds8

About trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine

trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine (PubChem CID 71414214) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
PubChem CID71414214
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Nametrans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
SMILESCOc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1OC
InChIInChI=1S/C22H30N2O2/c1-25-21-13-7-3-9-17(21)15-23-19-11-5-6-12-20(19)24-16-18-10-4-8-14-22(18)26-2/h3-4,7-10,13-14,19-20,23-24H,5-6,11-12,15-16H2,1-2H3/t19-,20-/m1/s1
InChIKeyMVOYULWKDTVYJE-WOJBJXKFSA-N
XLogP3.89
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 19012952
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
trans-(1S,2S)-2-[(2,3-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 94414022
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
N-cyclopentyloxy-1-(2-methoxyphenyl)methanamine
CID 83229129
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
N-[(2-methoxyphenyl)methyl]-2-propylcyclopropan-1-amine
CID 103711434

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine (CID 71414214) is trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine is COc1ccccc1CN[C@@H]1CCCC[C@H]1NCc1ccccc1OC.
What is the InChIKey of trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine?
The InChIKey is MVOYULWKDTVYJE-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-25-21-13-7-3-9-17(21)15-23-19-11-5-6-12-20(19)24-16-18-10-4-8-14-22(18)26-2/h3-4,7-10,13-14,19-20,23-24H,5-6,11-12,15-16H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine has a molecular weight of 354.49 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine is sourced from PubChem (CID 71414214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).