N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine

C14H15Cl2NO — CID 55135149

IUPACN-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyYQHGMJLGUVCNJK-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.68
Rot. Bonds5

About N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine

N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 55135149) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID55135149
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC NameN-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2NO/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyYQHGMJLGUVCNJK-UHFFFAOYSA-N
XLogP4.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359
N-[(2-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 106861045
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(2,4-dichlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 63504122
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(2,4-dichlorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 63502964
N-[(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
CID 65153469
N-[(2-chloro-5-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 105397127
N-[(2,4-dichlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496101
N-[(3-chloro-4-fluorophenyl)-(2,4-dichlorophenyl)methyl]propan-1-amine
CID 82874215
N-[(3,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496452

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine (CID 55135149) is N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is YQHGMJLGUVCNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-2-7-17-14(13-4-3-8-18-13)11-6-5-10(15)9-12(11)16/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 284.19 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 55135149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).