1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine

C13H14ClNO — CID 106857596

IUPAC1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1ccc(C)cc1Cl
InChIInChI=1S/C13H14ClNO/c1-9-5-6-10(11(14)8-9)13(15-2)12-4-3-7-16-12/h3-8,13,15H,1-2H3
InChIKeyRHSRCROGZTWHTC-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.55
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine

1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 106857596) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID106857596
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCNC(c1ccco1)c1ccc(C)cc1Cl
InChIInChI=1S/C13H14ClNO/c1-9-5-6-10(11(14)8-9)13(15-2)12-4-3-7-16-12/h3-8,13,15H,1-2H3
InChIKeyRHSRCROGZTWHTC-UHFFFAOYSA-N
XLogP3.55
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792126
(1R)-1-(furan-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 90212494
1-(furan-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 43626241
1-(4-chloro-2,5-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 82783225
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
1-(4-tert-butylphenyl)-1-(2-chloro-4-methylphenyl)-N-methylmethanamine
CID 106857422
1-(2,6-dimethyl-3-pyridinyl)-1-(furan-2-yl)-N-methylmethanamine
CID 82237737
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106857455
1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302337
1-(2-chloro-4-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 106857167

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine (CID 106857596) is 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine is CNC(c1ccco1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is RHSRCROGZTWHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9-5-6-10(11(14)8-9)13(15-2)12-4-3-7-16-12/h3-8,13,15H,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine?
1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 235.71 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 106857596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).