N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine

C16H20ClNO — CID 82759724

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
SMILESClc1oc2ccccc2c1CNCCC1CCCC1
InChIInChI=1S/C16H20ClNO/c17-16-14(13-7-3-4-8-15(13)19-16)11-18-10-9-12-5-1-2-6-12/h3-4,7-8,12,18H,1-2,5-6,9-11H2
InChIKeyJDPKESDCMDCSIO-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.76
Rot. Bonds5

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine (PubChem CID 82759724) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
PubChem CID82759724
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
SMILESClc1oc2ccccc2c1CNCCC1CCCC1
InChIInChI=1S/C16H20ClNO/c17-16-14(13-7-3-4-8-15(13)19-16)11-18-10-9-12-5-1-2-6-12/h3-4,7-8,12,18H,1-2,5-6,9-11H2
InChIKeyJDPKESDCMDCSIO-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 82705149
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 82760463
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
N-[(2-chloro-1-benzofuran-3-yl)methyl]but-3-yn-1-amine
CID 82760375
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
N-[(2-chloro-1-benzofuran-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 82705985
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
(E)-N-[(2-chloro-1-benzofuran-3-yl)methyl]pent-3-en-1-amine
CID 115777550
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 82705234
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 82764642
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 82711670

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine (CID 82759724) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine is Clc1oc2ccccc2c1CNCCC1CCCC1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine?
The InChIKey is JDPKESDCMDCSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c17-16-14(13-7-3-4-8-15(13)19-16)11-18-10-9-12-5-1-2-6-12/h3-4,7-8,12,18H,1-2,5-6,9-11H2.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine has a molecular weight of 277.79 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine is sourced from PubChem (CID 82759724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).