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

C15H18ClNO — CID 82542459

IUPAC3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine
SMILESCc1c(Cl)cccc1-c1ccc(C(C)CCN)o1
InChIInChI=1S/C15H18ClNO/c1-10(8-9-17)14-6-7-15(18-14)12-4-3-5-13(16)11(12)2/h3-7,10H,8-9,17H2,1-2H3
InChIKeyUYXJDKWAJJYYAZ-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.36
Rot. Bonds4

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

3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine (PubChem CID 82542459) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine
PubChem CID82542459
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine
SMILESCc1c(Cl)cccc1-c1ccc(C(C)CCN)o1
InChIInChI=1S/C15H18ClNO/c1-10(8-9-17)14-6-7-15(18-14)12-4-3-5-13(16)11(12)2/h3-7,10H,8-9,17H2,1-2H3
InChIKeyUYXJDKWAJJYYAZ-UHFFFAOYSA-N
XLogP4.36
TPSA39.16 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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(3,4-dichlorophenyl)furan-2-yl]butan-1-amine
CID 82542294
3-[5-(3-chlorophenyl)furan-2-yl]butan-1-amine
CID 82542677
3-[5-(2-methoxyphenyl)furan-2-yl]butan-1-amine
CID 82542723
3-[5-(3,5-dichlorophenyl)furan-2-yl]butan-1-amine
CID 82542304
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210608
1-[5-(3-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085456
3-[5-(3-chloro-2-methylphenyl)furan-2-yl]propanamide
CID 91686842
3-[4-chloro-3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542679
2-[5-(3-chloro-2-methylphenyl)furan-2-yl]acetic acid
CID 82119349
[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8636961
1-[5-(2-chlorophenyl)furan-2-yl]ethanol
CID 62497927
(1S)-1-[5-(2-chlorophenyl)furan-2-yl]ethanol
CID 102192435

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine (CID 82542459) is 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine is Cc1c(Cl)cccc1-c1ccc(C(C)CCN)o1.
What is the InChIKey of 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine?
The InChIKey is UYXJDKWAJJYYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-10(8-9-17)14-6-7-15(18-14)12-4-3-5-13(16)11(12)2/h3-7,10H,8-9,17H2,1-2H3.
What are the key properties of 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine?
3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chloro-2-methylphenyl)furan-2-yl]butan-1-amine is sourced from PubChem (CID 82542459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).