2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol

C14H16ClN3O — CID 112606445

IUPAC2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
SMILESCN(C)c1ccncc1NCc1cccc(Cl)c1O
InChIInChI=1S/C14H16ClN3O/c1-18(2)13-6-7-16-9-12(13)17-8-10-4-3-5-11(15)14(10)19/h3-7,9,17,19H,8H2,1-2H3
InChIKeySYKDCKQKLWAXKE-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.12
Rot. Bonds4

About 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol

2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol (PubChem CID 112606445) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
PubChem CID112606445
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
SMILESCN(C)c1ccncc1NCc1cccc(Cl)c1O
InChIInChI=1S/C14H16ClN3O/c1-18(2)13-6-7-16-9-12(13)17-8-10-4-3-5-11(15)14(10)19/h3-7,9,17,19H,8H2,1-2H3
InChIKeySYKDCKQKLWAXKE-UHFFFAOYSA-N
XLogP3.12
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 61318267
2,4-dichloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43678664
3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620
2-chloro-6-[[[4-(dimethylamino)-2-methoxy-3-pyridinyl]amino]methyl]phenol
CID 115951113
2-bromo-6-[[(4-chloro-3-pyridinyl)amino]methyl]phenol
CID 83165585
3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 66159679
3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 107123923
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 106816290
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol (CID 112606445) is 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol is CN(C)c1ccncc1NCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
The InChIKey is SYKDCKQKLWAXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18(2)13-6-7-16-9-12(13)17-8-10-4-3-5-11(15)14(10)19/h3-7,9,17,19H,8H2,1-2H3.
What are the key properties of 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol?
2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol has a molecular weight of 277.75 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 112606445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).