N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine

C12H15NO — CID 130165125

IUPACN-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine
SMILESc1cc2c(cc1NCC1CC1)COC2
InChIInChI=1S/C12H15NO/c1-2-9(1)6-13-12-4-3-10-7-14-8-11(10)5-12/h3-5,9,13H,1-2,6-8H2
InChIKeyIHNAXILOHJZGLU-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.54
Rot. Bonds3

About N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine

N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine (PubChem CID 130165125) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine
PubChem CID130165125
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine
SMILESc1cc2c(cc1NCC1CC1)COC2
InChIInChI=1S/C12H15NO/c1-2-9(1)6-13-12-4-3-10-7-14-8-11(10)5-12/h3-5,9,13H,1-2,6-8H2
InChIKeyIHNAXILOHJZGLU-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294
N-[(5-methyloxolan-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 114262629
2-chloro-N-[4-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]cyclohexyl]-3-(trifluoromethyl)benzamide
CID 154172927
[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
CID 113345604
N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881537
N-(cyclopentylmethyl)-9H-fluoren-2-amine
CID 63419501
N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 113345249
N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881527
N-(cyclobutylmethyl)-9H-fluoren-2-amine
CID 65458719
N-(thian-4-yl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881535
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
N-(cyclopropylmethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676340

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The IUPAC name of N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine (CID 130165125) is N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine is c1cc2c(cc1NCC1CC1)COC2.
What is the InChIKey of N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
The InChIKey is IHNAXILOHJZGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-9(1)6-13-12-4-3-10-7-14-8-11(10)5-12/h3-5,9,13H,1-2,6-8H2.
What are the key properties of N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine?
N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine has a molecular weight of 189.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine is sourced from PubChem (CID 130165125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).