2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine

C9H14ClNO — CID 116907489

IUPAC2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CCl)N(C)C)o1
InChIInChI=1S/C9H14ClNO/c1-7-4-5-9(12-7)8(6-10)11(2)3/h4-5,8H,6H2,1-3H3
InChIKeyAPISIPSTCWFFCE-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.43
Rot. Bonds3

About 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine

2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 116907489) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine
PubChem CID116907489
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CCl)N(C)C)o1
InChIInChI=1S/C9H14ClNO/c1-7-4-5-9(12-7)8(6-10)11(2)3/h4-5,8H,6H2,1-3H3
InChIKeyAPISIPSTCWFFCE-UHFFFAOYSA-N
XLogP2.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(5-methylfuran-2-yl)propan-1-amine
CID 145352645
N'-ethyl-N,N-dimethyl-1-(5-methylfuran-2-yl)ethane-1,2-diamine
CID 116905952
N,N,3,3-tetramethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116905767
4-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 22509557
N-ethyl-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 130615257
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 26834501
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 50968447
N,N-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-1-phenylethane-1,2-diamine
CID 43201795
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-fluorobenzamide
CID 26834409
4-tert-butyl-N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]benzamide
CID 26834395
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
2-N,2-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]butane-1,2-diamine
CID 115714157

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine (CID 116907489) is 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CCl)N(C)C)o1.
What is the InChIKey of 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is APISIPSTCWFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c1-7-4-5-9(12-7)8(6-10)11(2)3/h4-5,8H,6H2,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine?
2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 187.67 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 116907489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).