N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine

C16H16Cl2N2O — CID 43515875

IUPACN-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1cc(Cl)c(OCc2ccncc2)c(CNC2CC2)c1
InChIInChI=1S/C16H16Cl2N2O/c17-13-7-12(9-20-14-1-2-14)16(15(18)8-13)21-10-11-3-5-19-6-4-11/h3-8,14,20H,1-2,9-10H2
InChIKeyYLKQWGQOZPWEAQ-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.22
Rot. Bonds6

About N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43515875) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID43515875
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1cc(Cl)c(OCc2ccncc2)c(CNC2CC2)c1
InChIInChI=1S/C16H16Cl2N2O/c17-13-7-12(9-20-14-1-2-14)16(15(18)8-13)21-10-11-3-5-19-6-4-11/h3-8,14,20H,1-2,9-10H2
InChIKeyYLKQWGQOZPWEAQ-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 35697968
N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 60889636
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 62227671
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydron;chloride
CID 70789913
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163328823
methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63947658
N-[[3,5-dichloro-2-(2-pyridin-4-ylethoxy)phenyl]methyl]ethanamine
CID 60893022
N-[[3,5-dichloro-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]cyclopropanamine
CID 103032725
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 35697691

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 43515875) is N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine is Clc1cc(Cl)c(OCc2ccncc2)c(CNC2CC2)c1.
What is the InChIKey of N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is YLKQWGQOZPWEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-13-7-12(9-20-14-1-2-14)16(15(18)8-13)21-10-11-3-5-19-6-4-11/h3-8,14,20H,1-2,9-10H2.
What are the key properties of N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 323.22 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43515875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).