[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine

C12H17NO — CID 107655653

IUPAC[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1OCC1CC1
InChIInChI=1S/C12H17NO/c1-9-2-3-11(7-13)6-12(9)14-8-10-4-5-10/h2-3,6,10H,4-5,7-8,13H2,1H3
InChIKeyOOWGQMKTCFKLIF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.24
Rot. Bonds4

About [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine

[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine (PubChem CID 107655653) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
PubChem CID107655653
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)cc1OCC1CC1
InChIInChI=1S/C12H17NO/c1-9-2-3-11(7-13)6-12(9)14-8-10-4-5-10/h2-3,6,10H,4-5,7-8,13H2,1H3
InChIKeyOOWGQMKTCFKLIF-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
[4-(cyclopropylmethoxy)-3-iodophenyl]methanamine
CID 169488705
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
[4-(cyclohexylmethoxy)-3-ethoxyphenyl]methanamine
CID 43122482
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
5-(aminomethyl)-2-(cyclopropylmethoxy)phenol;hydron;chloride
CID 68694681
[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
CID 123665502
2-(cyclopropylmethoxy)-1-methyl-4-(trifluoromethyl)benzene
CID 71084107
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
1-(cyclopropylmethoxy)-4-ethyl-2-methylbenzene
CID 155323138
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine?
The IUPAC name of [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine (CID 107655653) is [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine is Cc1ccc(CN)cc1OCC1CC1.
What is the InChIKey of [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine?
The InChIKey is OOWGQMKTCFKLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-2-3-11(7-13)6-12(9)14-8-10-4-5-10/h2-3,6,10H,4-5,7-8,13H2,1H3.
What are the key properties of [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine?
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 107655653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).