N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine

C18H27NO — CID 64506591

IUPACN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cccc3c2OC(C)(C)C3)C1
InChIInChI=1S/C18H27NO/c1-13-6-4-9-16(10-13)19-12-15-8-5-7-14-11-18(2,3)20-17(14)15/h5,7-8,13,16,19H,4,6,9-12H2,1-3H3
InChIKeyKOZWXRQKSPPGTB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.07
Rot. Bonds3

About N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine

N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 64506591) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine
PubChem CID64506591
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cccc3c2OC(C)(C)C3)C1
InChIInChI=1S/C18H27NO/c1-13-6-4-9-16(10-13)19-12-15-8-5-7-14-11-18(2,3)20-17(14)15/h5,7-8,13,16,19H,4,6,9-12H2,1-3H3
InChIKeyKOZWXRQKSPPGTB-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine (CID 64506591) is N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2cccc3c2OC(C)(C)C3)C1.
What is the InChIKey of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is KOZWXRQKSPPGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-6-4-9-16(10-13)19-12-15-8-5-7-14-11-18(2,3)20-17(14)15/h5,7-8,13,16,19H,4,6,9-12H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine?
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 64506591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).