3-methyl-N-phenylmethoxycyclohexan-1-amine

C14H21NO — CID 64974323

IUPAC3-methyl-N-phenylmethoxycyclohexan-1-amine
SMILESCC1CCCC(NOCc2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-12-6-5-9-14(10-12)15-16-11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3
InChIKeyVMJLQXMOSIJOSY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.29
Rot. Bonds4

About 3-methyl-N-phenylmethoxycyclohexan-1-amine

3-methyl-N-phenylmethoxycyclohexan-1-amine (PubChem CID 64974323) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-N-phenylmethoxycyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-phenylmethoxycyclohexan-1-amine
PubChem CID64974323
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methyl-N-phenylmethoxycyclohexan-1-amine
SMILESCC1CCCC(NOCc2ccccc2)C1
InChIInChI=1S/C14H21NO/c1-12-6-5-9-14(10-12)15-16-11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3
InChIKeyVMJLQXMOSIJOSY-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-phenylmethoxycyclohexan-1-amine?
The IUPAC name of 3-methyl-N-phenylmethoxycyclohexan-1-amine (CID 64974323) is 3-methyl-N-phenylmethoxycyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-phenylmethoxycyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-phenylmethoxycyclohexan-1-amine is CC1CCCC(NOCc2ccccc2)C1.
What is the InChIKey of 3-methyl-N-phenylmethoxycyclohexan-1-amine?
The InChIKey is VMJLQXMOSIJOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-6-5-9-14(10-12)15-16-11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3.
What are the key properties of 3-methyl-N-phenylmethoxycyclohexan-1-amine?
3-methyl-N-phenylmethoxycyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-phenylmethoxycyclohexan-1-amine is sourced from PubChem (CID 64974323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).