N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine

C14H21ClN2O — CID 113276682

IUPACN-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCN(C)CCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C14H21ClN2O/c1-17(2)8-9-18-14-5-3-4-13(15)12(14)10-16-11-6-7-11/h3-5,11,16H,6-10H2,1-2H3
InChIKeyQLALPFUXZKNDRU-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.53
Rot. Bonds7

About N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 113276682) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID113276682
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCN(C)CCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C14H21ClN2O/c1-17(2)8-9-18-14-5-3-4-13(15)12(14)10-16-11-6-7-11/h3-5,11,16H,6-10H2,1-2H3
InChIKeyQLALPFUXZKNDRU-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
2-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 114318958
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 114319605
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
CID 114319211
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine (CID 113276682) is N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine is CN(C)CCOc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is QLALPFUXZKNDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(2)8-9-18-14-5-3-4-13(15)12(14)10-16-11-6-7-11/h3-5,11,16H,6-10H2,1-2H3.
What are the key properties of N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 268.79 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 113276682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).