(R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride

C15H23ClN2O4 — CID 171213468

IUPAC(R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride
SMILESCOc1cc([C@H](N)C2CCCCC2)c([N+](=O)[O-])cc1OC.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-20-13-8-11(12(17(18)19)9-14(13)21-2)15(16)10-6-4-3-5-7-10;/h8-10,15H,3-7,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeySILCHXLQAHPAFC-XFULWGLBSA-N
MW330.81 g/mol
LogP3.61
Rot. Bonds5

About (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride

(R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride (PubChem CID 171213468) has the molecular formula C15H23ClN2O4 and a molecular weight of 330.81 g/mol. Its IUPAC name is (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride
PubChem CID171213468
Molecular FormulaC15H23ClN2O4
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name(R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride
SMILESCOc1cc([C@H](N)C2CCCCC2)c([N+](=O)[O-])cc1OC.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-20-13-8-11(12(17(18)19)9-14(13)21-2)15(16)10-6-4-3-5-7-10;/h8-10,15H,3-7,16H2,1-2H3;1H/t15-;/m1./s1
InChIKeySILCHXLQAHPAFC-XFULWGLBSA-N
XLogP3.61
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-cyclobutyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride
CID 171233083
(R)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171213992
(S)-cyclohexyl-(2-fluoro-4,5-dimethoxyphenyl)methanamine;hydrochloride
CID 171233620
4-[(R)-amino(cyclopentyl)methyl]-2-methoxy-6-nitrophenol;hydrochloride
CID 171208100
(S)-cyclohexyl-(6-nitro-1,3-benzodioxol-5-yl)methanamine
CID 171228079
(2-bromo-4,5-dimethoxyphenyl)-cyclohexylmethanamine
CID 43118233
3-(4,5-dimethoxy-2-nitrophenyl)butan-2-amine
CID 83007806
4-[(R)-amino(cyclohexyl)methyl]-2,3-dibromo-6-methoxyphenol;hydrochloride
CID 171215506
1-[(S)-cyclobutyl-(4,5-dimethoxy-2-nitrophenyl)methyl]piperazine
CID 171282438
2-amino-2-(4,5-dimethoxy-2-nitrophenyl)acetic acid
CID 53419103
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311935
(R)-cyclobutyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171206077

Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride (CID 171213468) is (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride is COc1cc([C@H](N)C2CCCCC2)c([N+](=O)[O-])cc1OC.Cl.
What is the InChIKey of (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride?
The InChIKey is SILCHXLQAHPAFC-XFULWGLBSA-N. The full InChI is InChI=1S/C15H22N2O4.ClH/c1-20-13-8-11(12(17(18)19)9-14(13)21-2)15(16)10-6-4-3-5-7-10;/h8-10,15H,3-7,16H2,1-2H3;1H/t15-;/m1./s1.
What are the key properties of (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride?
(R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(4,5-dimethoxy-2-nitrophenyl)methanamine;hydrochloride is sourced from PubChem (CID 171213468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).