2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine

C10H14ClNO — CID 103067643

IUPAC2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CCl)CN(C)Cc1ccco1
InChIInChI=1S/C10H14ClNO/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h3-5H,1,6-8H2,2H3
InChIKeyNKTHZOXULKYRMT-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.51
Rot. Bonds5

About 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine

2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine (PubChem CID 103067643) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine
PubChem CID103067643
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CCl)CN(C)Cc1ccco1
InChIInChI=1S/C10H14ClNO/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h3-5H,1,6-8H2,2H3
InChIKeyNKTHZOXULKYRMT-UHFFFAOYSA-N
XLogP2.51
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679
N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
CID 43526556
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
2-[furan-2-ylmethyl(methyl)amino]-1-(4-iodophenyl)ethanone
CID 62051012
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528
1-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 31379581
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine (CID 103067643) is 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine is C=C(CCl)CN(C)Cc1ccco1.
What is the InChIKey of 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine?
The InChIKey is NKTHZOXULKYRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-9(6-11)7-12(2)8-10-4-3-5-13-10/h3-5H,1,6-8H2,2H3.
What are the key properties of 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine?
2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine has a molecular weight of 199.68 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(furan-2-ylmethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103067643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).