N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

C14H21Cl2N3O — CID 106994993

IUPACN-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccc(Cl)nc1Cl)CC1CCCN1
InChIInChI=1S/C14H21Cl2N3O/c1-20-8-7-19(10-12-3-2-6-17-12)9-11-4-5-13(15)18-14(11)16/h4-5,12,17H,2-3,6-10H2,1H3
InChIKeyTXXGYDIGSXSQKC-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.59
Rot. Bonds7

About N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine

N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106994993) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106994993
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC NameN-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccc(Cl)nc1Cl)CC1CCCN1
InChIInChI=1S/C14H21Cl2N3O/c1-20-8-7-19(10-12-3-2-6-17-12)9-11-4-5-13(15)18-14(11)16/h4-5,12,17H,2-3,6-10H2,1H3
InChIKeyTXXGYDIGSXSQKC-UHFFFAOYSA-N
XLogP2.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606243
N-[(3,4-dichlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606072
N-[(2-cyclopropylphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606362
N-[(2,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606335
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605745
N-[(3-bromo-4-chlorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106606044
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-[(3,5-difluorophenyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605797
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605994
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
2-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617504
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106994993) is N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is COCCN(Cc1ccc(Cl)nc1Cl)CC1CCCN1.
What is the InChIKey of N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is TXXGYDIGSXSQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-20-8-7-19(10-12-3-2-6-17-12)9-11-4-5-13(15)18-14(11)16/h4-5,12,17H,2-3,6-10H2,1H3.
What are the key properties of N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 318.25 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichloro-3-pyridinyl)methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106994993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).