(2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine

C12H18ClNO — CID 106692204

IUPAC(2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2ccoc2Cl)CC1
InChIInChI=1S/C12H18ClNO/c1-8-2-4-9(5-3-8)11(14)10-6-7-15-12(10)13/h6-9,11H,2-5,14H2,1H3
InChIKeyRJIRKBSTOSUIAO-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.76
Rot. Bonds2

About (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine

(2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine (PubChem CID 106692204) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine
PubChem CID106692204
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name(2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(C(N)c2ccoc2Cl)CC1
InChIInChI=1S/C12H18ClNO/c1-8-2-4-9(5-3-8)11(14)10-6-7-15-12(10)13/h6-9,11H,2-5,14H2,1H3
InChIKeyRJIRKBSTOSUIAO-UHFFFAOYSA-N
XLogP3.76
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
CID 63942648
(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methanamine
CID 62965487
furan-3-yl-(4-methylcyclohexyl)methanamine
CID 63948782
(R)-(4-methylcyclohexyl)-pyridin-4-ylmethanamine
CID 96735910
(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638
(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine
CID 104789698
(4-methylcyclohexyl)-(4-methyl-2-pyridinyl)methanamine
CID 64775459
(5-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104988213
(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104987996
(S)-(2-chloroquinolin-3-yl)-cyclopropylmethanamine
CID 171234837
2-[amino(cyclopropyl)methyl]-5-chloroaniline
CID 55270347
(S)-cyclopropyl-(3-methylfuran-2-yl)methanamine
CID 130706800

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine?
The IUPAC name of (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine (CID 106692204) is (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine?
The canonical SMILES for (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine is CC1CCC(C(N)c2ccoc2Cl)CC1.
What is the InChIKey of (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine?
The InChIKey is RJIRKBSTOSUIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-8-2-4-9(5-3-8)11(14)10-6-7-15-12(10)13/h6-9,11H,2-5,14H2,1H3.
What are the key properties of (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine?
(2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine has a molecular weight of 227.73 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 106692204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).