N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine

C16H21NO — CID 43496085

IUPACN-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1cc(C)ccc1C
InChIInChI=1S/C16H21NO/c1-4-9-17-16(15-6-5-10-18-15)14-11-12(2)7-8-13(14)3/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyDUGRBIQVAHDUGU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.99
Rot. Bonds5

About N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine

N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine (PubChem CID 43496085) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
PubChem CID43496085
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1cc(C)ccc1C
InChIInChI=1S/C16H21NO/c1-4-9-17-16(15-6-5-10-18-15)14-11-12(2)7-8-13(14)3/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyDUGRBIQVAHDUGU-UHFFFAOYSA-N
XLogP3.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]ethanamine
CID 43489925
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495568
N-[(5-chlorofuran-2-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 106684288
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243
N-[(2,4-dichlorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 55135149
N-[(2,5-dimethylfuran-3-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496090
N-[(2,5-dibromothiophen-3-yl)-(furan-2-yl)methyl]propan-1-amine
CID 43497829
N-[(3-bromo-5-methylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 104851281
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673
N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine (CID 43496085) is N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine is CCCNC(c1ccco1)c1cc(C)ccc1C.
What is the InChIKey of N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine?
The InChIKey is DUGRBIQVAHDUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-9-17-16(15-6-5-10-18-15)14-11-12(2)7-8-13(14)3/h5-8,10-11,16-17H,4,9H2,1-3H3.
What are the key properties of N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine?
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43496085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).