N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine

C15H18ClNO — CID 82883211

IUPACN-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)o1)c1cc(Cl)ccc1C
InChIInChI=1S/C15H18ClNO/c1-4-17-15(14-8-6-11(3)18-14)13-9-12(16)7-5-10(13)2/h5-9,15,17H,4H2,1-3H3
InChIKeyPRYVZPDFKUYMDO-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.25
Rot. Bonds4

About N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine

N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 82883211) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID82883211
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)o1)c1cc(Cl)ccc1C
InChIInChI=1S/C15H18ClNO/c1-4-17-15(14-8-6-11(3)18-14)13-9-12(16)7-5-10(13)2/h5-9,15,17H,4H2,1-3H3
InChIKeyPRYVZPDFKUYMDO-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-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
N-[(2-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 81454466
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 43492781
N-[(2-chloro-4-fluoro-5-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 81044838
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-[(2-chloro-4,5-difluorophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107476667

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine (CID 82883211) is N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(C)o1)c1cc(Cl)ccc1C.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is PRYVZPDFKUYMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-4-17-15(14-8-6-11(3)18-14)13-9-12(16)7-5-10(13)2/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)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-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 82883211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).