(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol

C17H18ClNO2 — CID 10685891

IUPAC(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol
SMILESOc1cc2c(cc1Cl)CC[C@H](CNCc1ccccc1)O2
InChIInChI=1S/C17H18ClNO2/c18-15-8-13-6-7-14(21-17(13)9-16(15)20)11-19-10-12-4-2-1-3-5-12/h1-5,8-9,14,19-20H,6-7,10-11H2/t14-/m1/s1
InChIKeyBCTPODDQZONFKA-CQSZACIVSA-N
MW303.79 g/mol
LogP3.53
Rot. Bonds4

About (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol

(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol (PubChem CID 10685891) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol
PubChem CID10685891
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol
SMILESOc1cc2c(cc1Cl)CC[C@H](CNCc1ccccc1)O2
InChIInChI=1S/C17H18ClNO2/c18-15-8-13-6-7-14(21-17(13)9-16(15)20)11-19-10-12-4-2-1-3-5-12/h1-5,8-9,14,19-20H,6-7,10-11H2/t14-/m1/s1
InChIKeyBCTPODDQZONFKA-CQSZACIVSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
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
N-benzyl-1-[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 125479896
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
N-benzyl-1-(2,3,4,7-tetrahydropyrano[2,3-e]indol-2-yl)methanamine
CID 10062927
N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 12047590
N-benzyl-2-(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)ethanamine
CID 70035446
3-(3-chlorophenoxy)-N-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]propan-1-amine
CID 10113997
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 83230829
4-[(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)methyl]benzene-1,2-diol
CID 43182111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol (CID 10685891) is (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol is Oc1cc2c(cc1Cl)CC[C@H](CNCc1ccccc1)O2.
What is the InChIKey of (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is BCTPODDQZONFKA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-15-8-13-6-7-14(21-17(13)9-16(15)20)11-19-10-12-4-2-1-3-5-12/h1-5,8-9,14,19-20H,6-7,10-11H2/t14-/m1/s1.
What are the key properties of (2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol?
(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 303.79 g/mol, XLogP of 3.53, 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]-6-chloro-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 10685891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).