N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine

C17H19ClN2O — CID 114319356

IUPACN-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1cccc(OCCc2ccncc2)c1CNC1CC1
InChIInChI=1S/C17H19ClN2O/c18-16-2-1-3-17(15(16)12-20-14-4-5-14)21-11-8-13-6-9-19-10-7-13/h1-3,6-7,9-10,14,20H,4-5,8,11-12H2
InChIKeyISWHFKRZPLBROW-UHFFFAOYSA-N
MW302.80 g/mol
LogP3.61
Rot. Bonds7

About N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 114319356) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID114319356
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC NameN-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1cccc(OCCc2ccncc2)c1CNC1CC1
InChIInChI=1S/C17H19ClN2O/c18-16-2-1-3-17(15(16)12-20-14-4-5-14)21-11-8-13-6-9-19-10-7-13/h1-3,6-7,9-10,14,20H,4-5,8,11-12H2
InChIKeyISWHFKRZPLBROW-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]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-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 114321819
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319226
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine (CID 114319356) is N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine is Clc1cccc(OCCc2ccncc2)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is ISWHFKRZPLBROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-16-2-1-3-17(15(16)12-20-14-4-5-14)21-11-8-13-6-9-19-10-7-13/h1-3,6-7,9-10,14,20H,4-5,8,11-12H2.
What are the key properties of N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 302.80 g/mol, XLogP of 3.61, 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-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114319356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).