N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine

C16H20ClNO — CID 81352630

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO/c1-12(5-10-16-4-3-11-19-16)18-13(2)14-6-8-15(17)9-7-14/h3-4,6-9,11-13,18H,5,10H2,1-2H3/t12?,13-/m0/s1
InChIKeyFTEYZTSJTBUBGO-ABLWVSNPSA-N
MW277.80 g/mol
LogP4.60
Rot. Bonds6

About N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 81352630) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
PubChem CID81352630
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClNO/c1-12(5-10-16-4-3-11-19-16)18-13(2)14-6-8-15(17)9-7-14/h3-4,6-9,11-13,18H,5,10H2,1-2H3/t12?,13-/m0/s1
InChIKeyFTEYZTSJTBUBGO-ABLWVSNPSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164
1-(4-chlorophenyl)-N-[(1R)-1-(furan-2-yl)ethyl]ethanamine
CID 81403869
N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43769812
N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43093621

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine (CID 81352630) is N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is FTEYZTSJTBUBGO-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-12(5-10-16-4-3-11-19-16)18-13(2)14-6-8-15(17)9-7-14/h3-4,6-9,11-13,18H,5,10H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 81352630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).