N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine

C17H21Cl2NO — CID 43769812

IUPACN-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
SMILESCCC(NC(C)CCc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2NO/c1-3-17(13-7-9-15(18)16(19)11-13)20-12(2)6-8-14-5-4-10-21-14/h4-5,7,9-12,17,20H,3,6,8H2,1-2H3
InChIKeyMIZIHPSVZAVWCQ-UHFFFAOYSA-N
MW326.27 g/mol
LogP5.65
Rot. Bonds7

About N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine

N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 43769812) has the molecular formula C17H21Cl2NO and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
PubChem CID43769812
Molecular FormulaC17H21Cl2NO
Molecular Weight326.27 g/mol
Exact Mass325.10
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
SMILESCCC(NC(C)CCc1ccco1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H21Cl2NO/c1-3-17(13-7-9-15(18)16(19)11-13)20-12(2)6-8-14-5-4-10-21-14/h4-5,7,9-12,17,20H,3,6,8H2,1-2H3
InChIKeyMIZIHPSVZAVWCQ-UHFFFAOYSA-N
XLogP5.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.27
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43093621
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
[1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105257135
1-(3,4-dichlorophenyl)-N-(1-phenylpropan-2-yl)propan-1-amine
CID 63462746
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
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
N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine
CID 43677543
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine (CID 43769812) is N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine is CCC(NC(C)CCc1ccco1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is MIZIHPSVZAVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO/c1-3-17(13-7-9-15(18)16(19)11-13)20-12(2)6-8-14-5-4-10-21-14/h4-5,7,9-12,17,20H,3,6,8H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine?
N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 326.27 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 43769812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).