(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine

C18H23NO — CID 43464305

IUPAC(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H23NO/c1-13-17(11-12-20-13)18(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14,18H,2-6,19H2,1H3
InChIKeyDZQYBLLBYCYVDO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.68
Rot. Bonds3

About (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine

(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine (PubChem CID 43464305) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine
PubChem CID43464305
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H23NO/c1-13-17(11-12-20-13)18(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14,18H,2-6,19H2,1H3
InChIKeyDZQYBLLBYCYVDO-UHFFFAOYSA-N
XLogP4.68
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
CID 114604613
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987
(4-cyclohexylphenyl)-(2-fluorophenyl)methanamine
CID 43093339
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481
(4-cyclohexylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79094080
(4-cyclobutylphenyl)-(4-methyl-3-pyridinyl)methanamine
CID 114877864
(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol
CID 106855338
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine (CID 43464305) is (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is DZQYBLLBYCYVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13-17(11-12-20-13)18(19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-12,14,18H,2-6,19H2,1H3.
What are the key properties of (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine?
(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 43464305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).