5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine

C17H27NO — CID 82708859

IUPAC5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NOCc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-13(2)16-10-9-14(3)11-17(16)18-19-12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyAHGLTDMQULBTML-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.17
Rot. Bonds5

About 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine

5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine (PubChem CID 82708859) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
PubChem CID82708859
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NOCc2ccccc2)C1
InChIInChI=1S/C17H27NO/c1-13(2)16-10-9-14(3)11-17(16)18-19-12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3
InChIKeyAHGLTDMQULBTML-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.17
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

N-(5-methyl-2-propan-2-ylcyclohexyl)-2-phenylmethoxyacetamide
CID 55763891
N-benzyl-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 2728111
(2S)-1-N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-3-phenylpropane-1,2-diamine
CID 66573625
(2S)-2-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-3-phenylpropanoic acid
CID 69148390
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
5-methyl-N-[(1R)-1-phenylethyl]-2-propan-2-ylcyclohexan-1-amine
CID 81350586
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
2-[(1S,2R,4R)-4-methyl-2-phenylmethoxycyclohexyl]propan-1-ol
CID 57170894
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]sulfanylmethylbenzene
CID 100954560
N-(5-methyl-2-propan-2-ylcyclohexyl)benzenesulfonamide
CID 42960041

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine (CID 82708859) is 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NOCc2ccccc2)C1.
What is the InChIKey of 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is AHGLTDMQULBTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)16-10-9-14(3)11-17(16)18-19-12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3.
What are the key properties of 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine?
5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenylmethoxy-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 82708859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).