(1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine

C18H19N3 — CID 132917665

IUPAC(1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1ncc2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C18H19N3/c1-12(2)17(19)18-20-11-15-14(9-6-10-16(15)21-18)13-7-4-3-5-8-13/h3-12,17H,19H2,1-2H3/t17-/m0/s1
InChIKeyKDLRGAWKVKMEGN-KRWDZBQOSA-N
MW277.37 g/mol
LogP3.95
Rot. Bonds3

About (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine

(1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine (PubChem CID 132917665) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine
PubChem CID132917665
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name(1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine
SMILESCC(C)[C@H](N)c1ncc2c(-c3ccccc3)cccc2n1
InChIInChI=1S/C18H19N3/c1-12(2)17(19)18-20-11-15-14(9-6-10-16(15)21-18)13-7-4-3-5-8-13/h3-12,17H,19H2,1-2H3/t17-/m0/s1
InChIKeyKDLRGAWKVKMEGN-KRWDZBQOSA-N
XLogP3.95
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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10-phenyl-5,20-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29-pentadecaene
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2-methoxy-1,3-diphenylbenzene
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O-(2,6-diphenylphenyl)hydroxylamine
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CID 21450414

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine (CID 132917665) is (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine is CC(C)[C@H](N)c1ncc2c(-c3ccccc3)cccc2n1.
What is the InChIKey of (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine?
The InChIKey is KDLRGAWKVKMEGN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3/c1-12(2)17(19)18-20-11-15-14(9-6-10-16(15)21-18)13-7-4-3-5-8-13/h3-12,17H,19H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine?
(1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(5-phenylquinazolin-2-yl)propan-1-amine is sourced from PubChem (CID 132917665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).