N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine

C15H23ClN2O — CID 102740312

IUPACN-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
SMILESCNC(C)c1ccc(OCCN(C)C2CC2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(17-2)12-4-7-15(14(16)10-12)19-9-8-18(3)13-5-6-13/h4,7,10-11,13,17H,5-6,8-9H2,1-3H3
InChIKeyJXDOCTUUJDUDBL-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.09
Rot. Bonds7

About N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine

N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine (PubChem CID 102740312) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
PubChem CID102740312
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
SMILESCNC(C)c1ccc(OCCN(C)C2CC2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(17-2)12-4-7-15(14(16)10-12)19-9-8-18(3)13-5-6-13/h4,7,10-11,13,17H,5-6,8-9H2,1-3H3
InChIKeyJXDOCTUUJDUDBL-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine 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-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
1-(3-chloro-4-hexoxyphenyl)-N-methylethanamine
CID 55222844
1-[3-chloro-4-(2-ethoxyethoxy)phenyl]-N-methylethanamine
CID 62911552
6-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702855
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
1-[3-chloro-4-(2-propylsulfonylethoxy)phenyl]-N-methylethanamine
CID 106722519
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-N-methylethanamine
CID 62912780
N-[2-[3-methoxy-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740278
N-[2-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740253
1-[3-chloro-4-(2-methylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 62912238
N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine (CID 102740312) is N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine is CNC(C)c1ccc(OCCN(C)C2CC2)c(Cl)c1.
What is the InChIKey of N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine?
The InChIKey is JXDOCTUUJDUDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(17-2)12-4-7-15(14(16)10-12)19-9-8-18(3)13-5-6-13/h4,7,10-11,13,17H,5-6,8-9H2,1-3H3.
What are the key properties of N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine?
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine has a molecular weight of 282.81 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102740312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).