1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine

C15H18ClNO2 — CID 170889123

IUPAC1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C15H18ClNO2/c1-3-11(17)9-12-5-7-14(19-12)10-4-6-15(18-2)13(16)8-10/h4-8,11H,3,9,17H2,1-2H3
InChIKeyRLPPZMOUEHAVPW-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.89
Rot. Bonds5

About 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine

1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine (PubChem CID 170889123) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
PubChem CID170889123
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
SMILESCCC(N)Cc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C15H18ClNO2/c1-3-11(17)9-12-5-7-14(19-12)10-4-6-15(18-2)13(16)8-10/h4-8,11H,3,9,17H2,1-2H3
InChIKeyRLPPZMOUEHAVPW-UHFFFAOYSA-N
XLogP3.89
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
CID 170889125
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
CID 7425255
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425244
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
3-amino-3-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]propanoic acid
CID 53417405
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine
CID 4727079
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine
CID 107622701

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine?
The IUPAC name of 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine (CID 170889123) is 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine.
What is the SMILES notation for 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine?
The canonical SMILES for 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine is CCC(N)Cc1ccc(-c2ccc(OC)c(Cl)c2)o1.
What is the InChIKey of 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine?
The InChIKey is RLPPZMOUEHAVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-3-11(17)9-12-5-7-14(19-12)10-4-6-15(18-2)13(16)8-10/h4-8,11H,3,9,17H2,1-2H3.
What are the key properties of 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine?
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine is sourced from PubChem (CID 170889123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).