N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine

C20H25NO2 — CID 12047590

IUPACN-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESCC(C)Oc1cccc2c1O[C@@H](CNCc1ccccc1)CC2
InChIInChI=1S/C20H25NO2/c1-15(2)22-19-10-6-9-17-11-12-18(23-20(17)19)14-21-13-16-7-4-3-5-8-16/h3-10,15,18,21H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyNURLULOJBCMPFJ-GOSISDBHSA-N
MW311.43 g/mol
LogP3.96
Rot. Bonds6

About N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine

N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine (PubChem CID 12047590) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine
PubChem CID12047590
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine
SMILESCC(C)Oc1cccc2c1O[C@@H](CNCc1ccccc1)CC2
InChIInChI=1S/C20H25NO2/c1-15(2)22-19-10-6-9-17-11-12-18(23-20(17)19)14-21-13-16-7-4-3-5-8-16/h3-10,15,18,21H,11-14H2,1-2H3/t18-/m1/s1
InChIKeyNURLULOJBCMPFJ-GOSISDBHSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine with MolForge

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Related Compounds

[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanol
CID 59922596
[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methyl methanesulfonate
CID 86586482
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine
CID 10062927
1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
CID 69117191
(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol
CID 19021789
(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol
CID 10685891
1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 138714590
N-benzyl-1-[7-(4-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 91313249
N-benzylethanamine;2-phenyl-3,4-dihydro-2H-chromene
CID 66899013

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine?
The IUPAC name of N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine (CID 12047590) is N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine.
What is the SMILES notation for N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine?
The canonical SMILES for N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine is CC(C)Oc1cccc2c1O[C@@H](CNCc1ccccc1)CC2.
What is the InChIKey of N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine?
The InChIKey is NURLULOJBCMPFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)22-19-10-6-9-17-11-12-18(23-20(17)19)14-21-13-16-7-4-3-5-8-16/h3-10,15,18,21H,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine?
N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine has a molecular weight of 311.43 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine is sourced from PubChem (CID 12047590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).