3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine

C15H23NO — CID 64974306

IUPAC3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
SMILESCC1CC(C)CC(NOCc2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-12-8-13(2)10-15(9-12)16-17-11-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3
InChIKeyBICVZFHWKRZNKI-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.53
Rot. Bonds4

About 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine

3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine (PubChem CID 64974306) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
PubChem CID64974306
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
SMILESCC1CC(C)CC(NOCc2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-12-8-13(2)10-15(9-12)16-17-11-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3
InChIKeyBICVZFHWKRZNKI-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.53
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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Related Compounds

3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
1-benzyl-5-methyl-N-phenylmethoxypyrrolidin-3-amine
CID 130528313
3-(2-fluorophenyl)-N-phenylmethoxycyclobutan-1-amine
CID 82709787
5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
CID 82708859
2-ethyl-N-phenylmethoxyoxan-4-amine
CID 82708858
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
1-methyl-N-phenylmethoxypiperidin-3-amine
CID 82710116
N-phenylmethoxyadamantan-2-amine
CID 15552592
1-phenyl-N-phenylmethoxypiperidin-4-amine
CID 106820391
cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine (CID 64974306) is 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine is CC1CC(C)CC(NOCc2ccccc2)C1.
What is the InChIKey of 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine?
The InChIKey is BICVZFHWKRZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-8-13(2)10-15(9-12)16-17-11-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine?
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine is sourced from PubChem (CID 64974306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).