N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine

C18H27NO — CID 83138647

IUPACN-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(C)C(CNC1CC1)CC1COc2ccccc21
InChIInChI=1S/C18H27NO/c1-18(2,3)14(11-19-15-8-9-15)10-13-12-20-17-7-5-4-6-16(13)17/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeyOKQCCLNQRZTSNI-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine

N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 83138647) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
PubChem CID83138647
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)(C)C(CNC1CC1)CC1COc2ccccc21
InChIInChI=1S/C18H27NO/c1-18(2,3)14(11-19-15-8-9-15)10-13-12-20-17-7-5-4-6-16(13)17/h4-7,13-15,19H,8-12H2,1-3H3
InChIKeyOKQCCLNQRZTSNI-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
N-[4-(2,3-dihydro-1-benzofuran-3-yl)butyl]cyclopropanamine
CID 79229614
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
CID 79229508
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutan-1-amine
CID 81020255
1-cyclopentyl-2-(2,3-dihydro-1-benzofuran-3-yl)ethanamine
CID 112570233
1-(2,3-dihydro-1-benzofuran-3-yl)-4,4-dimethylpentan-3-amine
CID 79229480
N-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-2-methylpropan-2-amine
CID 79230229
3-(3-chloro-2-cyclopentylpropyl)-2,3-dihydro-1-benzofuran
CID 112570500
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
CID 79218532
(1S)-1-cyclopentyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 81395215
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79227058

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine (CID 83138647) is N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine is CC(C)(C)C(CNC1CC1)CC1COc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is OKQCCLNQRZTSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-18(2,3)14(11-19-15-8-9-15)10-13-12-20-17-7-5-4-6-16(13)17/h4-7,13-15,19H,8-12H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine?
N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 83138647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).