N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine

C16H23ClN2O — CID 114848298

IUPACN-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CN(c2ccc(Cl)cc2CNC2CC2)C(C)CO1
InChIInChI=1S/C16H23ClN2O/c1-11-10-20-12(2)9-19(11)16-6-3-14(17)7-13(16)8-18-15-4-5-15/h3,6-7,11-12,15,18H,4-5,8-10H2,1-2H3
InChIKeyWUCZLBVJKVFARM-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.21
Rot. Bonds4

About N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114848298) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID114848298
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CN(c2ccc(Cl)cc2CNC2CC2)C(C)CO1
InChIInChI=1S/C16H23ClN2O/c1-11-10-20-12(2)9-19(11)16-6-3-14(17)7-13(16)8-18-15-4-5-15/h3,6-7,11-12,15,18H,4-5,8-10H2,1-2H3
InChIKeyWUCZLBVJKVFARM-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)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

1-[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]butan-2-amine
CID 114860621
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114851568
N-[[4-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 43544881
[4-[2-[(cyclopropylamino)methyl]-4-fluorophenyl]-5-methylmorpholin-2-yl]methanol
CID 81193938
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114847342
N-[[4-chloro-2-(3-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848287
1-[4-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 114860620
N-[[2-(2,5-dimethylmorpholin-4-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185517
4-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]morpholine-3-carboxamide
CID 114853087
[3-chloro-4-(2,5-dimethylmorpholin-4-yl)phenyl]methanol
CID 81152543
N-[[5-chloro-2-(4-methylazepan-1-yl)phenyl]methyl]cyclopropanamine
CID 114851315
N-[[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114851124

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine (CID 114848298) is N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine is CC1CN(c2ccc(Cl)cc2CNC2CC2)C(C)CO1.
What is the InChIKey of N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is WUCZLBVJKVFARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-10-20-12(2)9-19(11)16-6-3-14(17)7-13(16)8-18-15-4-5-15/h3,6-7,11-12,15,18H,4-5,8-10H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 294.83 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114848298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).