N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine

C15H21NO — CID 114199408

IUPACN-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine
SMILESCCc1cccc(OC2(CNC3CC3)CC2)c1
InChIInChI=1S/C15H21NO/c1-2-12-4-3-5-14(10-12)17-15(8-9-15)11-16-13-6-7-13/h3-5,10,13,16H,2,6-9,11H2,1H3
InChIKeyLRDNVDGJGKJCSZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds6

About N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine

N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine (PubChem CID 114199408) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine
PubChem CID114199408
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine
SMILESCCc1cccc(OC2(CNC3CC3)CC2)c1
InChIInChI=1S/C15H21NO/c1-2-12-4-3-5-14(10-12)17-15(8-9-15)11-16-13-6-7-13/h3-5,10,13,16H,2,6-9,11H2,1H3
InChIKeyLRDNVDGJGKJCSZ-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine 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-(3-ethoxyphenoxy)cyclopropyl]methyl]cyclopropanamine
CID 114199529
N-[3-(3-ethylphenoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79628392
N-[2-[1-(3-ethylphenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273388
N-[[4-[(3-methoxyphenyl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62905211
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
(3-ethylphenoxy)cyclooctane
CID 91220327
N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
CID 114855013
N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
N-[[3-[(3-ethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62450134
N-[[1-[(3-chlorophenyl)methoxy]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 65124443
N-[2-[1-(3-propan-2-ylphenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103273516
N-[(1-benzylcyclopropyl)methyl]cyclopropanamine
CID 66026239

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine (CID 114199408) is N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine is CCc1cccc(OC2(CNC3CC3)CC2)c1.
What is the InChIKey of N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is LRDNVDGJGKJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-12-4-3-5-14(10-12)17-15(8-9-15)11-16-13-6-7-13/h3-5,10,13,16H,2,6-9,11H2,1H3.
What are the key properties of N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine?
N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 231.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethylphenoxy)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 114199408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).