[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine

C14H21NO — CID 106200256

IUPAC[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COCCC1CC1
InChIInChI=1S/C14H21NO/c1-11-8-13(9-15)4-5-14(11)10-16-7-6-12-2-3-12/h4-5,8,12H,2-3,6-7,9-10,15H2,1H3
InChIKeyMXDSYOGVGAGWTM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.77
Rot. Bonds6

About [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine

[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine (PubChem CID 106200256) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine
PubChem CID106200256
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COCCC1CC1
InChIInChI=1S/C14H21NO/c1-11-8-13(9-15)4-5-14(11)10-16-7-6-12-2-3-12/h4-5,8,12H,2-3,6-7,9-10,15H2,1H3
InChIKeyMXDSYOGVGAGWTM-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
CID 114479387
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
4-(2-cyclopropylethoxymethyl)-3-fluoroaniline
CID 106199901
[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine
CID 102721796
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
CID 114479437
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 114479420
4-(2-cyclobutylethoxymethyl)-3-methoxyaniline
CID 106200104
4-(2-cyclopropylethoxymethyl)-3-(trifluoromethyl)aniline
CID 106199866
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
N-[[3-bromo-4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205920

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine (CID 106200256) is [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine is Cc1cc(CN)ccc1COCCC1CC1.
What is the InChIKey of [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine?
The InChIKey is MXDSYOGVGAGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-8-13(9-15)4-5-14(11)10-16-7-6-12-2-3-12/h4-5,8,12H,2-3,6-7,9-10,15H2,1H3.
What are the key properties of [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine?
[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine is sourced from PubChem (CID 106200256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).