(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol

C17H19NO2 — CID 10378389

IUPAC(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2
InChIInChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
InChIKeyDWUAAOIZQFTYQP-MRXNPFEDSA-N
MW269.34 g/mol
LogP2.88
Rot. Bonds4

About (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol

(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol (PubChem CID 10378389) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
PubChem CID10378389
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
SMILESOc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2
InChIInChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
InChIKeyDWUAAOIZQFTYQP-MRXNPFEDSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol
CID 10685891
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
N-benzyl-1-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methanamine;2-(bromomethyl)-7-phenylmethoxy-3,4-dihydro-2H-chromene;methane;phenylmethanamine;hydrochloride
CID 158865969
2-[[[5-(4-fluorophenyl)-2-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
CID 91460108
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
N-[(4-chlorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)methanamine
CID 10805476
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
2-[[3-(3-amino-2-methylphenoxy)propylamino]methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10783507
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,4-dihydro-2H-chromen-7-ol
CID 10803828
N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine
CID 10062927
4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]phenol
CID 867998
3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
CID 10113997

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol (CID 10378389) is (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol is Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2.
What is the InChIKey of (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is DWUAAOIZQFTYQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1.
What are the key properties of (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol?
(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 269.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 10378389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).