2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol

C17H21N3O — CID 133462148

IUPAC2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol
SMILESCc1nc2c(c(N(C)Cc3ccccc3O)n1)CCCC2
InChIInChI=1S/C17H21N3O/c1-12-18-15-9-5-4-8-14(15)17(19-12)20(2)11-13-7-3-6-10-16(13)21/h3,6-7,10,21H,4-5,8-9,11H2,1-2H3
InChIKeyZEKNCZAUTQUZAC-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.01
Rot. Bonds3

About 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol

2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol (PubChem CID 133462148) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol
PubChem CID133462148
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol
SMILESCc1nc2c(c(N(C)Cc3ccccc3O)n1)CCCC2
InChIInChI=1S/C17H21N3O/c1-12-18-15-9-5-4-8-14(15)17(19-12)20(2)11-13-7-3-6-10-16(13)21/h3,6-7,10,21H,4-5,8-9,11H2,1-2H3
InChIKeyZEKNCZAUTQUZAC-UHFFFAOYSA-N
XLogP3.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]propane-1,3-diol
CID 133472784
N-butan-2-yl-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133472393
CID 88944033
CID 88944033
2-[[[4-amino-6-[(2-hydroxyphenyl)methyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]methyl]phenol
CID 70938061
N-tert-butyl-2-[methyl-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]acetamide
CID 157030208
N-(4-hydroxysulfanylphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 122633281
N,2-dimethyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 56902769
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73293920
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)-propylamino]ethanol
CID 133461051
N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 46995689
N-[(1S)-1-(4-methoxyphenyl)ethyl]-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 122628517
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol (CID 133462148) is 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol is Cc1nc2c(c(N(C)Cc3ccccc3O)n1)CCCC2.
What is the InChIKey of 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol?
The InChIKey is ZEKNCZAUTQUZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-18-15-9-5-4-8-14(15)17(19-12)20(2)11-13-7-3-6-10-16(13)21/h3,6-7,10,21H,4-5,8-9,11H2,1-2H3.
What are the key properties of 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol?
2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol has a molecular weight of 283.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 133462148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).