N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine

C15H21ClN2O — CID 114847342

IUPACN-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CN(c2cc(Cl)ccc2CNC2CC2)CCO1
InChIInChI=1S/C15H21ClN2O/c1-11-10-18(6-7-19-11)15-8-13(16)3-2-12(15)9-17-14-4-5-14/h2-3,8,11,14,17H,4-7,9-10H2,1H3
InChIKeyLVARZDNRSHNJAI-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.82
Rot. Bonds4

About N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine

N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 114847342) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID114847342
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
SMILESCC1CN(c2cc(Cl)ccc2CNC2CC2)CCO1
InChIInChI=1S/C15H21ClN2O/c1-11-10-18(6-7-19-11)15-8-13(16)3-2-12(15)9-17-14-4-5-14/h2-3,8,11,14,17H,4-7,9-10H2,1H3
InChIKeyLVARZDNRSHNJAI-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-methyl-4-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81249369
4-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 115468437
N-[[5-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114847339
1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
CID 114852089
N-[[4-chloro-2-(3-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848287
N-[[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62972720
1-[4-chloro-2-(3,4-dimethylpiperidin-1-yl)phenyl]-N-methylmethanamine
CID 114853729
5-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 16772686
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
2-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114853355
N-[[3-chloro-6-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284426
1-[5-chloro-2-(methylaminomethyl)phenyl]-3-methylpiperidin-4-ol
CID 114853985

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine (CID 114847342) is N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine is CC1CN(c2cc(Cl)ccc2CNC2CC2)CCO1.
What is the InChIKey of N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is LVARZDNRSHNJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-10-18(6-7-19-11)15-8-13(16)3-2-12(15)9-17-14-4-5-14/h2-3,8,11,14,17H,4-7,9-10H2,1H3.
What are the key properties of N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine?
N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 280.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2-methylmorpholin-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114847342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).