N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine

C19H21N3O — CID 20545409

IUPACN-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine
SMILESCc1ccccc1OCC(C)(C)Nc1ncnc2ccccc12
InChIInChI=1S/C19H21N3O/c1-14-8-4-7-11-17(14)23-12-19(2,3)22-18-15-9-5-6-10-16(15)20-13-21-18/h4-11,13H,12H2,1-3H3,(H,20,21,22)
InChIKeyJZQPFYDNEVCDAP-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.21
Rot. Bonds5

About N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine

N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine (PubChem CID 20545409) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine
PubChem CID20545409
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine
SMILESCc1ccccc1OCC(C)(C)Nc1ncnc2ccccc12
InChIInChI=1S/C19H21N3O/c1-14-8-4-7-11-17(14)23-12-19(2,3)22-18-15-9-5-6-10-16(15)20-13-21-18/h4-11,13H,12H2,1-3H3,(H,20,21,22)
InChIKeyJZQPFYDNEVCDAP-UHFFFAOYSA-N
XLogP4.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-1-(2-methylphenoxy)propan-2-amine
CID 82125739
2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
CID 64555655
2-methyl-2-(quinazolin-4-ylamino)propanoic acid
CID 61261745
N-[1-chloro-2-(chloromethyl)butan-2-yl]quinazolin-4-amine
CID 107867363
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
6-methoxy-N-(2,4,4-trimethylpentan-2-yl)quinazolin-4-amine
CID 21002905
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
CID 12797563
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
2-ethyl-2-(quinazolin-4-ylamino)butanoic acid
CID 79806959
N-[8-(4-methylphenoxy)octyl]quinazolin-4-amine
CID 20545344
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]quinazolin-4-amine
CID 91641402
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine?
The IUPAC name of N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine (CID 20545409) is N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine.
What is the SMILES notation for N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine?
The canonical SMILES for N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine is Cc1ccccc1OCC(C)(C)Nc1ncnc2ccccc12.
What is the InChIKey of N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine?
The InChIKey is JZQPFYDNEVCDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-8-4-7-11-17(14)23-12-19(2,3)22-18-15-9-5-6-10-16(15)20-13-21-18/h4-11,13H,12H2,1-3H3,(H,20,21,22).
What are the key properties of N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine?
N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine is sourced from PubChem (CID 20545409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).