N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine

C16H23ClN2O2 — CID 60883333

IUPACN-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(OCCN2CCOCC2)c(CNC2CC2)c1
InChIInChI=1S/C16H23ClN2O2/c17-14-1-4-16(13(11-14)12-18-15-2-3-15)21-10-7-19-5-8-20-9-6-19/h1,4,11,15,18H,2-3,5-10,12H2
InChIKeyFOMHSUPHDKWBAV-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.30
Rot. Bonds7

About N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 60883333) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
PubChem CID60883333
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine
SMILESClc1ccc(OCCN2CCOCC2)c(CNC2CC2)c1
InChIInChI=1S/C16H23ClN2O2/c17-14-1-4-16(13(11-14)12-18-15-2-3-15)21-10-7-19-5-8-20-9-6-19/h1,4,11,15,18H,2-3,5-10,12H2
InChIKeyFOMHSUPHDKWBAV-UHFFFAOYSA-N
XLogP2.30
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 63326889
N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883707
[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
N-[[5-chloro-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365706
(1R)-1-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 55189907
N-[[5-chloro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177541
3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-cyclopropylpropanamide
CID 62626106
2-[4-chloro-2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide
CID 6471305
N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
CID 11958772
2-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]acetic acid
CID 102535926
4-[2-(5-chloro-2-ethoxyphenyl)ethyl]morpholine;methanamine
CID 177027735

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine (CID 60883333) is N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine is Clc1ccc(OCCN2CCOCC2)c(CNC2CC2)c1.
What is the InChIKey of N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is FOMHSUPHDKWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c17-14-1-4-16(13(11-14)12-18-15-2-3-15)21-10-7-19-5-8-20-9-6-19/h1,4,11,15,18H,2-3,5-10,12H2.
What are the key properties of N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 310.82 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 60883333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).