[3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine

C16H23NO — CID 62455177

IUPAC[3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine
SMILESCC1CC=CCC1COCc1cccc(CN)c1
InChIInChI=1S/C16H23NO/c1-13-5-2-3-8-16(13)12-18-11-15-7-4-6-14(9-15)10-17/h2-4,6-7,9,13,16H,5,8,10-12,17H2,1H3
InChIKeyNRVOCTOMDDZKIX-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.26
Rot. Bonds5

About [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine

[3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine (PubChem CID 62455177) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine
PubChem CID62455177
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine
SMILESCC1CC=CCC1COCc1cccc(CN)c1
InChIInChI=1S/C16H23NO/c1-13-5-2-3-8-16(13)12-18-11-15-7-4-6-14(9-15)10-17/h2-4,6-7,9,13,16H,5,8,10-12,17H2,1H3
InChIKeyNRVOCTOMDDZKIX-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.26
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

3-[[(1R,6S)-6-methylcyclohex-3-en-1-yl]methoxymethyl]benzoic acid
CID 29005819
[3-(cyclopentylmethoxymethyl)phenyl]methanamine
CID 66324298
6-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]pyridine-2-carbohydrazide
CID 106908803
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 62455925
[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]methanamine
CID 62290951
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
1-(cyclopent-3-en-1-ylmethoxymethyl)-3-methoxybenzene
CID 141398507
[3-(bromomethyl)phenyl]methanamine
CID 67540206
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]benzoic acid
CID 43473193
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[(1S,6R)-6-methylcyclohex-3-en-1-yl]methyl 2-(3-methoxyphenyl)acetate
CID 95585511

Frequently Asked Questions

What is the IUPAC name of [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine?
The IUPAC name of [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine (CID 62455177) is [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine?
The canonical SMILES for [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine is CC1CC=CCC1COCc1cccc(CN)c1.
What is the InChIKey of [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine?
The InChIKey is NRVOCTOMDDZKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-5-2-3-8-16(13)12-18-11-15-7-4-6-14(9-15)10-17/h2-4,6-7,9,13,16H,5,8,10-12,17H2,1H3.
What are the key properties of [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine?
[3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methanamine is sourced from PubChem (CID 62455177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).