6-phenylmethoxycyclohex-2-en-1-amine

C13H17NO — CID 22329463

IUPAC6-phenylmethoxycyclohex-2-en-1-amine
SMILESNC1C=CCCC1OCc1ccccc1
InChIInChI=1S/C13H17NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-4,6-8,12-13H,5,9-10,14H2
InChIKeyBUVSZTWAYWLHAE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.25
Rot. Bonds3

About 6-phenylmethoxycyclohex-2-en-1-amine

6-phenylmethoxycyclohex-2-en-1-amine (PubChem CID 22329463) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-phenylmethoxycyclohex-2-en-1-amine.

Molecular Properties

Compound Name6-phenylmethoxycyclohex-2-en-1-amine
PubChem CID22329463
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name6-phenylmethoxycyclohex-2-en-1-amine
SMILESNC1C=CCCC1OCc1ccccc1
InChIInChI=1S/C13H17NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-4,6-8,12-13H,5,9-10,14H2
InChIKeyBUVSZTWAYWLHAE-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,6S)-6-phenylmethoxycyclohex-2-en-1-ol
CID 11321665
cis-(1S,2R)-2-phenylmethoxycyclobutan-1-amine
CID 10512782
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3-phenylmethoxycyclopentane-1,2-diamine
CID 163363678
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
3-phenylmethoxycycloheptene
CID 12512694
[(1R,4Z,6R,7S,8S)-6,7,8-tris(phenylmethoxy)cyclooct-4-en-1-yl] acetate
CID 10844304
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
azane;cyclopentyloxymethylbenzene
CID 69411306
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxycyclohex-2-en-1-amine?
The IUPAC name of 6-phenylmethoxycyclohex-2-en-1-amine (CID 22329463) is 6-phenylmethoxycyclohex-2-en-1-amine.
What is the SMILES notation for 6-phenylmethoxycyclohex-2-en-1-amine?
The canonical SMILES for 6-phenylmethoxycyclohex-2-en-1-amine is NC1C=CCCC1OCc1ccccc1.
What is the InChIKey of 6-phenylmethoxycyclohex-2-en-1-amine?
The InChIKey is BUVSZTWAYWLHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-4,6-8,12-13H,5,9-10,14H2.
What are the key properties of 6-phenylmethoxycyclohex-2-en-1-amine?
6-phenylmethoxycyclohex-2-en-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxycyclohex-2-en-1-amine is sourced from PubChem (CID 22329463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).