(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine

C12H12ClNO — CID 107096502

IUPAC(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1ccco1
InChIInChI=1S/C12H12ClNO/c1-8-9(4-2-5-10(8)13)12(14)11-6-3-7-15-11/h2-7,12H,14H2,1H3
InChIKeyBQUABOMCFNQQTB-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.29
Rot. Bonds2

About (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine

(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine (PubChem CID 107096502) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine
PubChem CID107096502
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1ccco1
InChIInChI=1S/C12H12ClNO/c1-8-9(4-2-5-10(8)13)12(14)11-6-3-7-15-11/h2-7,12H,14H2,1H3
InChIKeyBQUABOMCFNQQTB-UHFFFAOYSA-N
XLogP3.29
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-chloro-2-methylphenyl)-(furan-2-yl)methyl]hydrazine
CID 107103681
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 107103801
2-[1-(2-chlorophenyl)ethyl]furan
CID 21387745
(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(3-chloro-2-methylphenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107103040
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107096610
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine?
The IUPAC name of (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine (CID 107096502) is (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine.
What is the SMILES notation for (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine?
The canonical SMILES for (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine is Cc1c(Cl)cccc1C(N)c1ccco1.
What is the InChIKey of (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine?
The InChIKey is BQUABOMCFNQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-8-9(4-2-5-10(8)13)12(14)11-6-3-7-15-11/h2-7,12H,14H2,1H3.
What are the key properties of (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine?
(3-chloro-2-methylphenyl)-(furan-2-yl)methanamine has a molecular weight of 221.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-methylphenyl)-(furan-2-yl)methanamine is sourced from PubChem (CID 107096502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).