3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C14H16ClN3 — CID 43678620

IUPAC3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3/c1-18(2)14-6-7-16-10-13(14)17-9-11-4-3-5-12(15)8-11/h3-8,10,17H,9H2,1-2H3
InChIKeyZLGSGHSSVZBMCI-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.41
Rot. Bonds4

About 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678620) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678620
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1cccc(Cl)c1
InChIInChI=1S/C14H16ClN3/c1-18(2)14-6-7-16-10-13(14)17-9-11-4-3-5-12(15)8-11/h3-8,10,17H,9H2,1-2H3
InChIKeyZLGSGHSSVZBMCI-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 106816290
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide
CID 63277027
3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 66159679
2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 112606445
2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43678664
4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine
CID 66409159
3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678976
4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine
CID 43678536
4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829885
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 61318267
3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 107123923
N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246803

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678620) is 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CN(C)c1ccncc1NCc1cccc(Cl)c1.
What is the InChIKey of 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is ZLGSGHSSVZBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-18(2)14-6-7-16-10-13(14)17-9-11-4-3-5-12(15)8-11/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).