N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine

C14H19ClN2O — CID 81152518

IUPACN-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)ccc1N1CCOCC1
InChIInChI=1S/C14H19ClN2O/c15-13-9-11(10-16-12-2-3-12)1-4-14(13)17-5-7-18-8-6-17/h1,4,9,12,16H,2-3,5-8,10H2
InChIKeyLITLBPBAHOYXQD-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.43
Rot. Bonds4

About N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine

N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine (PubChem CID 81152518) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
PubChem CID81152518
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)ccc1N1CCOCC1
InChIInChI=1S/C14H19ClN2O/c15-13-9-11(10-16-12-2-3-12)1-4-14(13)17-5-7-18-8-6-17/h1,4,9,12,16H,2-3,5-8,10H2
InChIKeyLITLBPBAHOYXQD-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]-4-methylpiperidin-4-ol
CID 81150118
N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 84750548
N-[(2-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine
CID 114064576
N-[[3-chloro-4-(3,3-diethylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81146013
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
N-[[3-chloro-4-(3-ethoxypiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 81143390
2-chloro-4-[(cyclopropylamino)methyl]benzoic acid
CID 117219988
4-[(2-morpholin-4-ylphenyl)methylamino]cyclohexan-1-ol
CID 110928598
1-[3-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 81144025
N-[[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 81150635
N-[[4-bromo-2-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 55153715
3-[1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 81142985

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine (CID 81152518) is N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine is Clc1cc(CNC2CC2)ccc1N1CCOCC1.
What is the InChIKey of N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine?
The InChIKey is LITLBPBAHOYXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-9-11(10-16-12-2-3-12)1-4-14(13)17-5-7-18-8-6-17/h1,4,9,12,16H,2-3,5-8,10H2.
What are the key properties of N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine?
N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine has a molecular weight of 266.77 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-morpholin-4-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 81152518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).