N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine

C13H19ClN2O — CID 82895979

IUPACN-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
SMILESCOc1cc(C)nc(CN(CCCl)C2CC2)c1
InChIInChI=1S/C13H19ClN2O/c1-10-7-13(17-2)8-11(15-10)9-16(6-5-14)12-3-4-12/h7-8,12H,3-6,9H2,1-2H3
InChIKeyVYPUMNQUVMFEFR-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.60
Rot. Bonds6

About N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine

N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine (PubChem CID 82895979) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
PubChem CID82895979
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine
SMILESCOc1cc(C)nc(CN(CCCl)C2CC2)c1
InChIInChI=1S/C13H19ClN2O/c1-10-7-13(17-2)8-11(15-10)9-16(6-5-14)12-3-4-12/h7-8,12H,3-6,9H2,1-2H3
InChIKeyVYPUMNQUVMFEFR-UHFFFAOYSA-N
XLogP2.60
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentanamine
CID 82895707
4-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4-N-propylcyclohexane-1,4-diamine
CID 82887262
3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 82892878
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79260720
N-ethyl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82886634
2-chloro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 102637568
2-(chloromethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365284
N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 82893709
N-(2-chloroethyl)-N-[(3-methoxyphenyl)methyl]cyclohexanamine
CID 63386912
N-cyclopentyloxy-1-(4-methoxy-6-methyl-2-pyridinyl)methanamine
CID 83235465
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
5-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204889

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine (CID 82895979) is N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine is COc1cc(C)nc(CN(CCCl)C2CC2)c1.
What is the InChIKey of N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine?
The InChIKey is VYPUMNQUVMFEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-7-13(17-2)8-11(15-10)9-16(6-5-14)12-3-4-12/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine?
N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine has a molecular weight of 254.76 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 82895979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).