N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine

C13H15ClN2O — CID 79255424

IUPACN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1CN(C)Cc1cc(Cl)ccn1
InChIInChI=1S/C13H15ClN2O/c1-10-11(4-6-17-10)8-16(2)9-13-7-12(14)3-5-15-13/h3-7H,8-9H2,1-2H3
InChIKeyNFNQWSIQSZGUCC-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.27
Rot. Bonds4

About N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine

N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 79255424) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID79255424
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1CN(C)Cc1cc(Cl)ccn1
InChIInChI=1S/C13H15ClN2O/c1-10-11(4-6-17-10)8-16(2)9-13-7-12(14)3-5-15-13/h3-7H,8-9H2,1-2H3
InChIKeyNFNQWSIQSZGUCC-UHFFFAOYSA-N
XLogP3.27
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 79255691
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 61426881
1-(2-hydrazinyl-3-pyridinyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]methanamine
CID 62469731
N'-[(4-chloro-2-pyridinyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 79255921
1-[(4-chloro-2-pyridinyl)methyl-methylamino]-2-methylpropan-2-ol
CID 79381503
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662
4-chloro-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyridine
CID 107779318
N-ethyl-5-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pyrazin-2-amine
CID 103056185
4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 63880713
3-fluoro-5-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 112646011
N-[(4-chloro-2-pyridinyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 79255512
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 79255424) is N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine is Cc1occc1CN(C)Cc1cc(Cl)ccn1.
What is the InChIKey of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is NFNQWSIQSZGUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-10-11(4-6-17-10)8-16(2)9-13-7-12(14)3-5-15-13/h3-7H,8-9H2,1-2H3.
What are the key properties of N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine?
N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 250.73 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 79255424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).