[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol

C14H21NO2 — CID 55040023

IUPAC[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
SMILESCOCCN(c1ccc(CO)cc1C)C1CC1
InChIInChI=1S/C14H21NO2/c1-11-9-12(10-16)3-6-14(11)15(7-8-17-2)13-4-5-13/h3,6,9,13,16H,4-5,7-8,10H2,1-2H3
InChIKeyNWZSEVJIGIXTKS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.10
Rot. Bonds6

About [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol

[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol (PubChem CID 55040023) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
PubChem CID55040023
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol
SMILESCOCCN(c1ccc(CO)cc1C)C1CC1
InChIInChI=1S/C14H21NO2/c1-11-9-12(10-16)3-6-14(11)15(7-8-17-2)13-4-5-13/h3,6,9,13,16H,4-5,7-8,10H2,1-2H3
InChIKeyNWZSEVJIGIXTKS-UHFFFAOYSA-N
XLogP2.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]methanol
CID 114062339
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-2-methylaniline
CID 62123829
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
CID 63817388
[2-[cyclopropyl(2-methoxyethyl)amino]-6-methyl-4-pyridinyl]methanol
CID 113378741
2-[N-cyclopropyl-2-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62123664
[4-[cyclopropyl(furan-2-ylmethyl)amino]-3-methylphenyl]methanol
CID 62122235
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)-4-(methylaminomethyl)aniline
CID 54946681
[2-[cyclopropyl(2-methoxyethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 54946432
1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 62909901
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
4-[(tert-butylamino)methyl]-2-chloro-N-cyclopropyl-N-(2-methoxyethyl)aniline
CID 81148121
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol?
The IUPAC name of [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol (CID 55040023) is [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol.
What is the SMILES notation for [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol?
The canonical SMILES for [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol is COCCN(c1ccc(CO)cc1C)C1CC1.
What is the InChIKey of [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol?
The InChIKey is NWZSEVJIGIXTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-9-12(10-16)3-6-14(11)15(7-8-17-2)13-4-5-13/h3,6,9,13,16H,4-5,7-8,10H2,1-2H3.
What are the key properties of [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol?
[4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[cyclopropyl(2-methoxyethyl)amino]-3-methylphenyl]methanol is sourced from PubChem (CID 55040023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).