N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine

C14H21ClN2O — CID 62471478

IUPACN-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(Cc1cccnc1Cl)C(C)C1CC1
InChIInChI=1S/C14H21ClN2O/c1-11(12-5-6-12)17(8-9-18-2)10-13-4-3-7-16-14(13)15/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyJLNJUFCNRJEZCH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.98
Rot. Bonds7

About N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine

N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (PubChem CID 62471478) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
PubChem CID62471478
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(Cc1cccnc1Cl)C(C)C1CC1
InChIInChI=1S/C14H21ClN2O/c1-11(12-5-6-12)17(8-9-18-2)10-13-4-3-7-16-14(13)15/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyJLNJUFCNRJEZCH-UHFFFAOYSA-N
XLogP2.98
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62890996
N-[(3-bromophenyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 54942465
5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771276
2-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-N-ethylpyridin-4-amine
CID 79244339
2-[benzyl-[(2-chloro-3-pyridinyl)methyl]amino]-2-cyclopropylethanol
CID 109397389
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
CID 62470734
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770
1-[(2-chloro-3-pyridinyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62470207
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
4-N-[(2-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121431
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
CID 55004075
N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62470924

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine (CID 62471478) is N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine is COCCN(Cc1cccnc1Cl)C(C)C1CC1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
The InChIKey is JLNJUFCNRJEZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11(12-5-6-12)17(8-9-18-2)10-13-4-3-7-16-14(13)15/h3-4,7,11-12H,5-6,8-10H2,1-2H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine?
N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-1-cyclopropyl-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 62471478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).