(1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine

C16H15Cl2NO2 — CID 52503017

IUPAC(1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@H](NCC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccco1
InChIInChI=1S/C16H15Cl2NO2/c1-10(15-3-2-4-20-15)19-8-11-5-12-6-13(17)7-14(18)16(12)21-9-11/h2-7,10,19H,8-9H2,1H3/t10-/m0/s1
InChIKeyTZOMQSVKMRJLBA-JTQLQIEISA-N
MW324.21 g/mol
LogP4.71
Rot. Bonds4

About (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine

(1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 52503017) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID52503017
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name(1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@H](NCC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccco1
InChIInChI=1S/C16H15Cl2NO2/c1-10(15-3-2-4-20-15)19-8-11-5-12-6-13(17)7-14(18)16(12)21-9-11/h2-7,10,19H,8-9H2,1H3/t10-/m0/s1
InChIKeyTZOMQSVKMRJLBA-JTQLQIEISA-N
XLogP4.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403890
4-[(6,8-dichloro-2H-chromen-3-yl)methylamino]-3-methylbutan-1-ol
CID 111469648
(1S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81402685
N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)propan-1-amine
CID 119108028
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
(1R)-N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403407
N-[(4-bromo-2-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 113242867
(1R)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104862327
(1R)-N-[(4-bromo-3-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 114076601
3-chloro-2-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 113276532

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine (CID 52503017) is (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine is C[C@H](NCC1=Cc2cc(Cl)cc(Cl)c2OC1)c1ccco1.
What is the InChIKey of (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is TZOMQSVKMRJLBA-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-10(15-3-2-4-20-15)19-8-11-5-12-6-13(17)7-14(18)16(12)21-9-11/h2-7,10,19H,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine?
(1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 324.21 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 52503017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).