N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine

C16H21NO2 — CID 43495568

IUPACN-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccc(OC)cc1C
InChIInChI=1S/C16H21NO2/c1-4-9-17-16(15-6-5-10-19-15)14-8-7-13(18-3)11-12(14)2/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyOEOZBHPWKTXKBI-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.69
Rot. Bonds6

About N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine

N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine (PubChem CID 43495568) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
PubChem CID43495568
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccco1)c1ccc(OC)cc1C
InChIInChI=1S/C16H21NO2/c1-4-9-17-16(15-6-5-10-19-15)14-8-7-13(18-3)11-12(14)2/h5-8,10-11,16-17H,4,9H2,1-3H3
InChIKeyOEOZBHPWKTXKBI-UHFFFAOYSA-N
XLogP3.69
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080
1-(furan-2-yl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482730
N-[(2,5-dimethylfuran-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 43495573
N-[(4-methoxy-2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 65313561
N-[(2,5-dimethylphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496085
N-[(5-iodothiophen-3-yl)-(4-methoxy-2-methylphenyl)methyl]propan-1-amine
CID 79693925
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
N-[(4-methoxy-2-methylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923325
N-[(5-bromo-2-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43493888
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine (CID 43495568) is N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccco1)c1ccc(OC)cc1C.
What is the InChIKey of N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is OEOZBHPWKTXKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-4-9-17-16(15-6-5-10-19-15)14-8-7-13(18-3)11-12(14)2/h5-8,10-11,16-17H,4,9H2,1-3H3.
What are the key properties of N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine?
N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl-(4-methoxy-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).