N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine

C15H17Cl2NO — CID 105030186

IUPACN-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2NO/c1-2-6-18-15(8-11-5-7-19-10-11)13-9-12(16)3-4-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyYXBQLIPHXSYOJA-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.87
Rot. Bonds6

About N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine

N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 105030186) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID105030186
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC NameN-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H17Cl2NO/c1-2-6-18-15(8-11-5-7-19-10-11)13-9-12(16)3-4-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3
InChIKeyYXBQLIPHXSYOJA-UHFFFAOYSA-N
XLogP4.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029989
N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
N-[1-(2,5-dibromophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029882
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030066
N-[1-(furan-2-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83175419
N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
[1-(2,4-dichlorophenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331708
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 105030186) is N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is YXBQLIPHXSYOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c1-2-6-18-15(8-11-5-7-19-10-11)13-9-12(16)3-4-14(13)17/h3-5,7,9-10,15,18H,2,6,8H2,1H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 298.21 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105030186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).