N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine

C18H24ClNO — CID 106830655

IUPACN-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(Cl)c2o1)C1(C)CCCCC1
InChIInChI=1S/C18H24ClNO/c1-3-20-17(18(2)10-5-4-6-11-18)15-12-13-8-7-9-14(19)16(13)21-15/h7-9,12,17,20H,3-6,10-11H2,1-2H3
InChIKeyQXTNMWJRVRASRQ-UHFFFAOYSA-N
MW305.85 g/mol
LogP5.71
Rot. Bonds4

About N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine

N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine (PubChem CID 106830655) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
PubChem CID106830655
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC NameN-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc2cccc(Cl)c2o1)C1(C)CCCCC1
InChIInChI=1S/C18H24ClNO/c1-3-20-17(18(2)10-5-4-6-11-18)15-12-13-8-7-9-14(19)16(13)21-15/h7-9,12,17,20H,3-6,10-11H2,1-2H3
InChIKeyQXTNMWJRVRASRQ-UHFFFAOYSA-N
XLogP5.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.85
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-chloro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730941
1-(7-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105048569
N-[(7-chloro-1-benzofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105048624
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105048673
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiolan-2-yl)methanamine
CID 105187005
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-3-methylbutan-1-amine
CID 114727840
4-(7-chloro-1-benzofuran-2-yl)-N-ethylpentan-2-amine
CID 114733575
1-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 105048494
(7-chloro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanol
CID 114727098
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-4-methylpentan-1-amine
CID 114728128
1-(7-chloro-1-benzofuran-2-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114730512

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine (CID 106830655) is N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc2cccc(Cl)c2o1)C1(C)CCCCC1.
What is the InChIKey of N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine?
The InChIKey is QXTNMWJRVRASRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClNO/c1-3-20-17(18(2)10-5-4-6-11-18)15-12-13-8-7-9-14(19)16(13)21-15/h7-9,12,17,20H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine?
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine has a molecular weight of 305.85 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1-benzofuran-2-yl)-(1-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106830655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).