2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol

C14H20N2O3 — CID 65395268

IUPAC2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2cccc([N+](=O)[O-])c2)CCCCC1O
InChIInChI=1S/C14H20N2O3/c15-10-14(7-2-1-6-13(14)17)9-11-4-3-5-12(8-11)16(18)19/h3-5,8,13,17H,1-2,6-7,9-10,15H2
InChIKeySVYVMSCEKOVGRI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.02
Rot. Bonds4

About 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol

2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol (PubChem CID 65395268) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol
PubChem CID65395268
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol
SMILESNCC1(Cc2cccc([N+](=O)[O-])c2)CCCCC1O
InChIInChI=1S/C14H20N2O3/c15-10-14(7-2-1-6-13(14)17)9-11-4-3-5-12(8-11)16(18)19/h3-5,8,13,17H,1-2,6-7,9-10,15H2
InChIKeySVYVMSCEKOVGRI-UHFFFAOYSA-N
XLogP2.02
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(aminomethyl)-2-[(2-bromo-4-nitrophenyl)methyl]cyclohexan-1-ol
CID 65393397
4-methyl-1-[(3-nitrophenyl)methyl]cyclohexan-1-amine
CID 65419636
1-[(3-nitrophenyl)methyl]cyclohexane-1-carbonitrile
CID 65378878
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide
CID 115737499
2-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 62367003
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-[2-(aminomethyl)cyclohexyl]-2-(3-nitrophenyl)acetamide;hydrochloride
CID 119610894
2-(aminomethyl)-2-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 65393602
1-cyclohexyl-2-[(3-nitrophenyl)methyl]guanidine
CID 62505388
3-[(3-nitrophenyl)methyl]oxan-3-amine
CID 65019941
1-N,2-N-bis[(3-nitrophenyl)methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040610
2-[(3-nitrophenyl)methyl]cyclopentan-1-amine
CID 61381561

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol (CID 65395268) is 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol is NCC1(Cc2cccc([N+](=O)[O-])c2)CCCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol?
The InChIKey is SVYVMSCEKOVGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-10-14(7-2-1-6-13(14)17)9-11-4-3-5-12(8-11)16(18)19/h3-5,8,13,17H,1-2,6-7,9-10,15H2.
What are the key properties of 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(3-nitrophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65395268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).