1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine

C15H18ClNO — CID 63085456

IUPAC1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C15H18ClNO/c1-10(17-3)9-12-7-8-15(18-12)13-5-4-6-14(16)11(13)2/h4-8,10,17H,9H2,1-3H3
InChIKeyLBDIDUVTLZFQDZ-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.06
Rot. Bonds4

About 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine

1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine (PubChem CID 63085456) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
PubChem CID63085456
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(Cl)c2C)o1
InChIInChI=1S/C15H18ClNO/c1-10(17-3)9-12-7-8-15(18-12)13-5-4-6-14(16)11(13)2/h4-8,10,17H,9H2,1-3H3
InChIKeyLBDIDUVTLZFQDZ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,3-dimethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084095
1-[5-(2-chloro-5-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 107626763
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 55181893
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085274
1-[5-(5-bromo-2-chlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63086331
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210608
N-methyl-1-(5-quinolin-8-ylfuran-2-yl)propan-2-amine
CID 63085974
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
N'-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 4724375
2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
CID 82119349
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine (CID 63085456) is 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2cccc(Cl)c2C)o1.
What is the InChIKey of 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine?
The InChIKey is LBDIDUVTLZFQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-10(17-3)9-12-7-8-15(18-12)13-5-4-6-14(16)11(13)2/h4-8,10,17H,9H2,1-3H3.
What are the key properties of 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine?
1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine has a molecular weight of 263.77 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 63085456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).