1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine

C16H23NO — CID 60752409

IUPAC1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)CC(CNCC1CCCCC1)O2
InChIInChI=1S/C16H23NO/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h4-5,8-9,13,15,17H,1-3,6-7,10-12H2
InChIKeyJIQSEBWDZSZZMT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.16
Rot. Bonds4

About 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine

1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine (PubChem CID 60752409) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
PubChem CID60752409
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)CC(CNCC1CCCCC1)O2
InChIInChI=1S/C16H23NO/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h4-5,8-9,13,15,17H,1-3,6-7,10-12H2
InChIKeyJIQSEBWDZSZZMT-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 114146466
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
CID 54896080
1-(azepan-1-yl)-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)ethanone
CID 60977167
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)butan-2-ol
CID 61004261
2-[[(cyclohexylmethylamino)-(2,3-dihydro-1-benzofuran-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111863229
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722611
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 114119430
2-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)guanidine
CID 111062950

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine (CID 60752409) is 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine is c1ccc2c(c1)CC(CNCC1CCCCC1)O2.
What is the InChIKey of 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine?
The InChIKey is JIQSEBWDZSZZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-6-13(7-3-1)11-17-12-15-10-14-8-4-5-9-16(14)18-15/h4-5,8-9,13,15,17H,1-3,6-7,10-12H2.
What are the key properties of 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine?
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine is sourced from PubChem (CID 60752409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).