1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine

C16H22ClNO — CID 114146466

IUPAC1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
SMILESClC1CCC(CNCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H22ClNO/c17-14-7-5-12(6-8-14)10-18-11-15-9-13-3-1-2-4-16(13)19-15/h1-4,12,14-15,18H,5-11H2
InChIKeyYTVMEDONLOSCDF-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.38
Rot. Bonds4

About 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine

1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine (PubChem CID 114146466) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
PubChem CID114146466
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
SMILESClC1CCC(CNCC2Cc3ccccc3O2)CC1
InChIInChI=1S/C16H22ClNO/c17-14-7-5-12(6-8-14)10-18-11-15-9-13-3-1-2-4-16(13)19-15/h1-4,12,14-15,18H,5-11H2
InChIKeyYTVMEDONLOSCDF-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
CID 54896080
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
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
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722611
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pentanamide
CID 106237490
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N-methylpropanamide
CID 62325690
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine (CID 114146466) is 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine is ClC1CCC(CNCC2Cc3ccccc3O2)CC1.
What is the InChIKey of 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine?
The InChIKey is YTVMEDONLOSCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-14-7-5-12(6-8-14)10-18-11-15-9-13-3-1-2-4-16(13)19-15/h1-4,12,14-15,18H,5-11H2.
What are the key properties of 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine?
1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine has a molecular weight of 279.81 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine is sourced from PubChem (CID 114146466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).