1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride

C13H15Cl2NO — CID 131862742

IUPAC1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C13H14ClNO.ClH/c1-15(2)9-12-7-8-13(16-12)10-3-5-11(14)6-4-10;/h3-8H,9H2,1-2H3;1H
InChIKeyISYKVUUZAHKTTJ-UHFFFAOYSA-N
MW272.18 g/mol
LogP4.08
Rot. Bonds3

About 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride

1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 131862742) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID131862742
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1ccc(-c2ccc(Cl)cc2)o1.Cl
InChIInChI=1S/C13H14ClNO.ClH/c1-15(2)9-12-7-8-13(16-12)10-3-5-11(14)6-4-10;/h3-8H,9H2,1-2H3;1H
InChIKeyISYKVUUZAHKTTJ-UHFFFAOYSA-N
XLogP4.08
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 21388068
N,N-bis[[5-(4-chlorophenyl)furan-2-yl]methyl]pentan-1-amine
CID 21413431
2-(4-chlorophenyl)-5-propylfuran
CID 91550346
(2R)-2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]propanamide
CID 8857548
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-amine;formic acid
CID 154916931
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]acetonitrile;hydrochloride
CID 17332098
2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42883929
(2R)-2-[[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]methyl]pentanedinitrile
CID 32526863
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(4-fluorophenyl)-1-methylthiourea
CID 9215880
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772515
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
CID 170887546
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-methylaniline
CID 91674302

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride (CID 131862742) is 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1ccc(-c2ccc(Cl)cc2)o1.Cl.
What is the InChIKey of 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is ISYKVUUZAHKTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO.ClH/c1-15(2)9-12-7-8-13(16-12)10-3-5-11(14)6-4-10;/h3-8H,9H2,1-2H3;1H.
What are the key properties of 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride?
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 272.18 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 131862742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).