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

C16H25NO — CID 113404833

IUPACN-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCCOc1ccc(C2(CNC(C)C)CC2C)cc1
InChIInChI=1S/C16H25NO/c1-5-18-15-8-6-14(7-9-15)16(10-13(16)4)11-17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyPBSCWJDBXHLZBW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds6

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

N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine (PubChem CID 113404833) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
PubChem CID113404833
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
SMILESCCOc1ccc(C2(CNC(C)C)CC2C)cc1
InChIInChI=1S/C16H25NO/c1-5-18-15-8-6-14(7-9-15)16(10-13(16)4)11-17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyPBSCWJDBXHLZBW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine 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

N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
CID 64997706
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
[2-methyl-1-[4-(2-methylpropoxy)phenyl]cyclopropyl]methanamine
CID 113404750
N-[[2-methyl-1-(4-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 66423351
1-ethoxy-4-[(1R,2S)-2-methyl-1-pentylcyclohexyl]benzene
CID 70489618
[2-chloro-1-(4-ethoxyphenyl)cyclopropyl]methanamine
CID 54376856
N-[(2-methyl-1-phenylcyclobutyl)methyl]propan-2-amine
CID 66431979
1-(4-ethoxyphenyl)-3-propan-2-ylcyclobutan-1-amine
CID 65016935
N-[[1-[2-(4-bromophenoxy)ethyl]cyclopropyl]methyl]propan-2-amine
CID 66026893
1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903167
N-[(4-ethoxyphenyl)sulfanylmethyl]propan-2-amine
CID 117032918
N-[[1-(2-phenoxyethyl)cyclopropyl]methyl]propan-2-amine
CID 66025781

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine (CID 113404833) is N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine is CCOc1ccc(C2(CNC(C)C)CC2C)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
The InChIKey is PBSCWJDBXHLZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-18-15-8-6-14(7-9-15)16(10-13(16)4)11-17-12(2)3/h6-9,12-13,17H,5,10-11H2,1-4H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine?
N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)-2-methylcyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 113404833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).