N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine

C14H17Cl2NO — CID 102653631

IUPACN-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO/c1-2-7-17-14(13-4-3-8-18-13)11-9-10(15)5-6-12(11)16/h4-6,9,14,17H,2-3,7-8H2,1H3
InChIKeyGGMMVHLTKKIDMJ-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.34
Rot. Bonds5

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

N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine (PubChem CID 102653631) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
PubChem CID102653631
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H17Cl2NO/c1-2-7-17-14(13-4-3-8-18-13)11-9-10(15)5-6-12(11)16/h4-6,9,14,17H,2-3,7-8H2,1H3
InChIKeyGGMMVHLTKKIDMJ-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[bis(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497710
N-[(5-bromo-2-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652310
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653177
N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170
N-[(2-chloro-5-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 105397398
N-[3,4-dihydro-2H-pyran-6-yl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 102649130
N-[2,3-dihydrofuran-5-yl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 102651379
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
1-(2,5-dichlorophenyl)-N-propylprop-2-en-1-amine
CID 105001064
N-[(2,5-dichlorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 43497673

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine (CID 102653631) is N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The InChIKey is GGMMVHLTKKIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-2-7-17-14(13-4-3-8-18-13)11-9-10(15)5-6-12(11)16/h4-6,9,14,17H,2-3,7-8H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine has a molecular weight of 286.20 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 102653631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).