(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine

C13H13Cl2NO — CID 81403339

IUPAC(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H13Cl2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h2-7,9,16H,8H2,1H3/t9-/m0/s1
InChIKeyUYPZRHOESNYDTK-VIFPVBQESA-N
MW270.16 g/mol
LogP4.44
Rot. Bonds4

About (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine

(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 81403339) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID81403339
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
SMILESC[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H13Cl2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h2-7,9,16H,8H2,1H3/t9-/m0/s1
InChIKeyUYPZRHOESNYDTK-VIFPVBQESA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
(1R)-N-[(4-bromo-3-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 114076601
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
CID 28643569
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809
1-(furan-2-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181990
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
(1S)-1-(furan-2-yl)-N-[(2-methylquinolin-6-yl)methyl]ethanamine
CID 105378594
(1S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81402685
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81437435
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 104928554

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine (CID 81403339) is (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine is C[C@H](NCc1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is UYPZRHOESNYDTK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-9(13-3-2-6-17-13)16-8-10-4-5-11(14)12(15)7-10/h2-7,9,16H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine?
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 270.16 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81403339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).