1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C15H18ClNO — CID 106684333

IUPAC1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1ccoc1Cl
InChIInChI=1S/C15H18ClNO/c1-10(2)11-4-6-12(7-5-11)14(17-3)13-8-9-18-15(13)16/h4-10,14,17H,1-3H3
InChIKeyLMONURFBXQUTTK-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.37
Rot. Bonds4

About 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 106684333) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID106684333
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(C(C)C)cc1)c1ccoc1Cl
InChIInChI=1S/C15H18ClNO/c1-10(2)11-4-6-12(7-5-11)14(17-3)13-8-9-18-15(13)16/h4-10,14,17H,1-3H3
InChIKeyLMONURFBXQUTTK-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorofuran-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 106684145
1-(2-chlorofuran-3-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561912
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 106692255
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
1-(2-chlorofuran-3-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 106692898
1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 106691466
1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 106693358
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(2-chlorofuran-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 106693422
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
1-(2-bromofuran-3-yl)-N-methyl-1-(4-phenylphenyl)methanamine
CID 106851546

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 106684333) is 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(C(C)C)cc1)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is LMONURFBXQUTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-10(2)11-4-6-12(7-5-11)14(17-3)13-8-9-18-15(13)16/h4-10,14,17H,1-3H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 263.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 106684333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).