N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine

C15H18ClNO — CID 81366262

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(N[C@H](C)c1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C15H18ClNO/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1
InChIKeyCEPCIPYJCYYMHS-YNODCEANSA-N
MW263.77 g/mol
LogP4.73
Rot. Bonds5

About N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine

N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine (PubChem CID 81366262) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
PubChem CID81366262
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(N[C@H](C)c1cccc(Cl)c1)c1ccco1
InChIInChI=1S/C15H18ClNO/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1
InChIKeyCEPCIPYJCYYMHS-YNODCEANSA-N
XLogP4.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(furan-2-yl)-N-[1-(3-nitrophenyl)ethyl]propan-1-amine
CID 62632904
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81350402
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 81366139
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43093621

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine (CID 81366262) is N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine is CCC(N[C@H](C)c1cccc(Cl)c1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The InChIKey is CEPCIPYJCYYMHS-YNODCEANSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-3-14(15-8-5-9-18-15)17-11(2)12-6-4-7-13(16)10-12/h4-11,14,17H,3H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 81366262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).