1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine

C14H21NO — CID 103724266

IUPAC1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCCOc1cccc(CNCC2(C)CC2)c1
InChIInChI=1S/C14H21NO/c1-3-16-13-6-4-5-12(9-13)10-15-11-14(2)7-8-14/h4-6,9,15H,3,7-8,10-11H2,1-2H3
InChIKeyVFMFPKKCKWYXLY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.97
Rot. Bonds6

About 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine

1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine (PubChem CID 103724266) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
PubChem CID103724266
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCCOc1cccc(CNCC2(C)CC2)c1
InChIInChI=1S/C14H21NO/c1-3-16-13-6-4-5-12(9-13)10-15-11-14(2)7-8-14/h4-6,9,15H,3,7-8,10-11H2,1-2H3
InChIKeyVFMFPKKCKWYXLY-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]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

1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 60908745
N-[(4-methyloxan-4-yl)methyl]-1-(3-propoxyphenyl)methanamine
CID 103743629
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889
3-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724255
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
1-(3-ethoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760835

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine (CID 103724266) is 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine is CCOc1cccc(CNCC2(C)CC2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The InChIKey is VFMFPKKCKWYXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-16-13-6-4-5-12(9-13)10-15-11-14(2)7-8-14/h4-6,9,15H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine?
1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103724266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).