N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine

C15H18ClNO — CID 106691892

IUPACN-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1cccc(C)c1C
InChIInChI=1S/C15H18ClNO/c1-4-17-14(13-8-9-18-15(13)16)12-7-5-6-10(2)11(12)3/h5-9,14,17H,4H2,1-3H3
InChIKeyWSXKDAOPXWZJJN-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.25
Rot. Bonds4

About N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine

N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 106691892) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID106691892
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccoc1Cl)c1cccc(C)c1C
InChIInChI=1S/C15H18ClNO/c1-4-17-14(13-8-9-18-15(13)16)12-7-5-6-10(2)11(12)3/h5-9,14,17H,4H2,1-3H3
InChIKeyWSXKDAOPXWZJJN-UHFFFAOYSA-N
XLogP4.25
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 106692004
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 63554015
N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43562044
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491156
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850255
N-[(2-chlorofuran-3-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 106689411
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 106692244

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine (CID 106691892) is N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1ccoc1Cl)c1cccc(C)c1C.
What is the InChIKey of N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is WSXKDAOPXWZJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-4-17-14(13-8-9-18-15(13)16)12-7-5-6-10(2)11(12)3/h5-9,14,17H,4H2,1-3H3.
What are the key properties of N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine?
N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 263.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106691892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).