(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine

C15H25N3O — CID 95123282

IUPAC(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine
SMILESCOC[C@H](C)NCCc1nc(C)c2c(n1)CCCC2
InChIInChI=1S/C15H25N3O/c1-11(10-19-3)16-9-8-15-17-12(2)13-6-4-5-7-14(13)18-15/h11,16H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyIANBDYAHPWRTQY-NSHDSACASA-N
MW263.38 g/mol
LogP1.83
Rot. Bonds6

About (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine

(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine (PubChem CID 95123282) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine
PubChem CID95123282
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine
SMILESCOC[C@H](C)NCCc1nc(C)c2c(n1)CCCC2
InChIInChI=1S/C15H25N3O/c1-11(10-19-3)16-9-8-15-17-12(2)13-6-4-5-7-14(13)18-15/h11,16H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyIANBDYAHPWRTQY-NSHDSACASA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine with MolForge

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Related Compounds

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine
CID 50981206
N-methyl-3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-amine
CID 105493609
N-[[2-(2-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
CID 81425453
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
CID 75530624
1-imidazol-1-yl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 56706674
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-1-methoxypropan-2-amine
CID 94473033
3-(4-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propanoic acid
CID 105494737
2-(2-methoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191471
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methoxypropan-2-amine
CID 115663726
(2R)-1-methoxy-N-[2-(4-methylphenyl)ethyl]propan-2-amine
CID 97074820
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 124755594
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine (CID 95123282) is (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine is COC[C@H](C)NCCc1nc(C)c2c(n1)CCCC2.
What is the InChIKey of (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine?
The InChIKey is IANBDYAHPWRTQY-NSHDSACASA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(10-19-3)16-9-8-15-17-12(2)13-6-4-5-7-14(13)18-15/h11,16H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine?
(2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine has a molecular weight of 263.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 95123282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).