N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine

C18H27NO2 — CID 104705865

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
SMILESCOC1(CNC2CCCCC2c2ccccc2)CCOC1
InChIInChI=1S/C18H27NO2/c1-20-18(11-12-21-14-18)13-19-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3
InChIKeyKTXDZPXYLPRRPT-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.11
Rot. Bonds5

About N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine

N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine (PubChem CID 104705865) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
PubChem CID104705865
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
SMILESCOC1(CNC2CCCCC2c2ccccc2)CCOC1
InChIInChI=1S/C18H27NO2/c1-20-18(11-12-21-14-18)13-19-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3
InChIKeyKTXDZPXYLPRRPT-UHFFFAOYSA-N
XLogP3.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxaspiro(5.5)undecane-3-methanamine, 5-methyl-N-(1-methyl-2-phenylethyl)-, hydrochloride
CID 13370196
(3R*,4S*)-4-[(2,2-diphenylethyl)(methyl)amino]tetrahydrofuran-3-ol
CID 77081040
3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]cyclobutan-1-amine
CID 86787680
2-Methyl-3-[(2-phenylbutylamino)methyl]oxolan-3-ol
CID 122148657
N-[(5-methyl-1,4-dioxaspiro[5.5]undecan-3-yl)methyl]-1-phenylpropan-2-amine
CID 13370195
1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
CID 84596046
3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-3-methylbutan-2-amine
CID 86790109
(2S)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
CID 97107005
(2R)-1-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
CID 97107006
(2S)-3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-3-methylbutan-2-amine
CID 97879803
(2R)-3-(4-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]-3-methylbutan-2-amine
CID 97879804
(2S)-1-(2-fluorophenyl)-N-[(4-methoxyoxan-4-yl)methyl]propan-2-amine
CID 99825354

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine (CID 104705865) is N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine is COC1(CNC2CCCCC2c2ccccc2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine?
The InChIKey is KTXDZPXYLPRRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-20-18(11-12-21-14-18)13-19-17-10-6-5-9-16(17)15-7-3-2-4-8-15/h2-4,7-8,16-17,19H,5-6,9-14H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 104705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).