N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine

C17H22ClNO — CID 115484143

IUPACN-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1Cl)c1ccoc1C
InChIInChI=1S/C17H22ClNO/c1-5-7-19-17(14-6-8-20-13(14)4)15-9-11(2)12(3)10-16(15)18/h6,8-10,17,19H,5,7H2,1-4H3
InChIKeyZWZWYHHFXOZONU-UHFFFAOYSA-N
MW291.82 g/mol
LogP4.95
Rot. Bonds5

About N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine

N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine (PubChem CID 115484143) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
PubChem CID115484143
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC NameN-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)c(C)cc1Cl)c1ccoc1C
InChIInChI=1S/C17H22ClNO/c1-5-7-19-17(14-6-8-20-13(14)4)15-9-11(2)12(3)10-16(15)18/h6,8-10,17,19H,5,7H2,1-4H3
InChIKeyZWZWYHHFXOZONU-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4,5-difluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 107476682
N-[(2-chloro-4,5-dimethylphenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 115484217
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115484214
N-[(2,3-dichlorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790416
N-[(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 106692244
N-[(2-methylfuran-3-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625510
N-[(2-bromophenyl)-(2-chloro-4,5-dimethylphenyl)methyl]propan-1-amine
CID 115484144
N-[(2,5-dibromophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 43495287
N-[(5-bromo-2-fluorophenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 104790330
(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
CID 115484595
N-[(2-methylfuran-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495891

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine (CID 115484143) is N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine is CCCNC(c1cc(C)c(C)cc1Cl)c1ccoc1C.
What is the InChIKey of N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is ZWZWYHHFXOZONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c1-5-7-19-17(14-6-8-20-13(14)4)15-9-11(2)12(3)10-16(15)18/h6,8-10,17,19H,5,7H2,1-4H3.
What are the key properties of N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine?
N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 291.82 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115484143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).