N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine

C12H17ClN2O — CID 115683686

IUPACN-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine
SMILESClc1ccc(CNCCOCC2CC2)cn1
InChIInChI=1S/C12H17ClN2O/c13-12-4-3-11(8-15-12)7-14-5-6-16-9-10-1-2-10/h3-4,8,10,14H,1-2,5-7,9H2
InChIKeyJKMDDZTYQMZIJD-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.25
Rot. Bonds7

About N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine

N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine (PubChem CID 115683686) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine
PubChem CID115683686
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine
SMILESClc1ccc(CNCCOCC2CC2)cn1
InChIInChI=1S/C12H17ClN2O/c13-12-4-3-11(8-15-12)7-14-5-6-16-9-10-1-2-10/h3-4,8,10,14H,1-2,5-7,9H2
InChIKeyJKMDDZTYQMZIJD-UHFFFAOYSA-N
XLogP2.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
1-[(6-chloro-3-pyridinyl)methyl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine
CID 111392769
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
N-[(4-bromo-3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103581710
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
N-[(6-chloro-3-pyridinyl)methyl]-2-propan-2-yloxyethanamine
CID 104588324
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618387
N-[(3-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653164
N-[(6-chloro-3-pyridinyl)methyl]cyclopropanamine
CID 53385515
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
N-[(6-chloro-3-pyridinyl)methyl]-3,3-dimethylbutan-1-amine
CID 115683638

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine (CID 115683686) is N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine is Clc1ccc(CNCCOCC2CC2)cn1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine?
The InChIKey is JKMDDZTYQMZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-12-4-3-11(8-15-12)7-14-5-6-16-9-10-1-2-10/h3-4,8,10,14H,1-2,5-7,9H2.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine?
N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine has a molecular weight of 240.73 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine is sourced from PubChem (CID 115683686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).