N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine

C14H21NO — CID 115594125

IUPACN-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCCOc1ccc(CNCC2CC2C)cc1
InChIInChI=1S/C14H21NO/c1-3-16-14-6-4-12(5-7-14)9-15-10-13-8-11(13)2/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyDUGNCZJYNIPQJS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.83
Rot. Bonds6

About N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine

N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine (PubChem CID 115594125) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
PubChem CID115594125
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
SMILESCCOc1ccc(CNCC2CC2C)cc1
InChIInChI=1S/C14H21NO/c1-3-16-14-6-4-12(5-7-14)9-15-10-13-8-11(13)2/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyDUGNCZJYNIPQJS-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594150
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
4-[[(2-methylcyclopropyl)methylamino]methyl]benzonitrile
CID 115584359
N-[(4-ethoxyphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208247
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594079
1-(1,1-dioxothiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]methanamine
CID 60733380
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
N-[(4-ethoxyphenyl)methyl]-1-(thian-2-yl)methanamine
CID 80599864
N-[(4-ethoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994455
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115594116
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine (CID 115594125) is N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine is CCOc1ccc(CNCC2CC2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
The InChIKey is DUGNCZJYNIPQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-16-14-6-4-12(5-7-14)9-15-10-13-8-11(13)2/h4-7,11,13,15H,3,8-10H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine?
N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 115594125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).