N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine

C17H24ClNO — CID 114377499

IUPACN-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCc1ccc(Cl)c2c(CC(C)C)c(CNC(C)C)oc12
InChIInChI=1S/C17H24ClNO/c1-10(2)8-13-15(9-19-11(3)4)20-17-12(5)6-7-14(18)16(13)17/h6-7,10-11,19H,8-9H2,1-5H3
InChIKeyBBDYQLKWNKGDNC-UHFFFAOYSA-N
MW293.84 g/mol
LogP5.09
Rot. Bonds5

About N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine

N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine (PubChem CID 114377499) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
PubChem CID114377499
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCc1ccc(Cl)c2c(CC(C)C)c(CNC(C)C)oc12
InChIInChI=1S/C17H24ClNO/c1-10(2)8-13-15(9-19-11(3)4)20-17-12(5)6-7-14(18)16(13)17/h6-7,10-11,19H,8-9H2,1-5H3
InChIKeyBBDYQLKWNKGDNC-UHFFFAOYSA-N
XLogP5.09
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.84
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114377486
N-[[5-chloro-4,6-dimethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376998
[4,7-dichloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114376411
N-[[5-bromo-7-chloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376058
N-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 113459820
N-[[7-methyl-3,4-di(propan-2-yl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114377137
N-[(4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842966
N-[[4-fluoro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 102990769
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[[4-chloro-3-(methoxymethyl)-7-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114377473
N-[(4-chloro-3,7-dimethyl-1-benzofuran-2-yl)methyl]cyclopropanamine
CID 81047445

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine (CID 114377499) is N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine is Cc1ccc(Cl)c2c(CC(C)C)c(CNC(C)C)oc12.
What is the InChIKey of N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The InChIKey is BBDYQLKWNKGDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-10(2)8-13-15(9-19-11(3)4)20-17-12(5)6-7-14(18)16(13)17/h6-7,10-11,19H,8-9H2,1-5H3.
What are the key properties of N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine has a molecular weight of 293.84 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-7-methyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114377499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).