N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine

C16H21NO2 — CID 106888703

IUPACN-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccc(CNC(C)C)o2)cc1C
InChIInChI=1S/C16H21NO2/c1-11(2)17-10-14-6-8-16(19-14)13-5-7-15(18-4)12(3)9-13/h5-9,11,17H,10H2,1-4H3
InChIKeyVPLSCHHHIICBMQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.76
Rot. Bonds5

About N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888703) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888703
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccc(CNC(C)C)o2)cc1C
InChIInChI=1S/C16H21NO2/c1-11(2)17-10-14-6-8-16(19-14)13-5-7-15(18-4)12(3)9-13/h5-9,11,17H,10H2,1-4H3
InChIKeyVPLSCHHHIICBMQ-UHFFFAOYSA-N
XLogP3.76
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 107622707
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106889009
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine
CID 60961490
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887913
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
3-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methylamino]-4-methoxybenzoic acid
CID 17058773
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine (CID 106888703) is N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine is COc1ccc(-c2ccc(CNC(C)C)o2)cc1C.
What is the InChIKey of N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is VPLSCHHHIICBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(2)17-10-14-6-8-16(19-14)13-5-7-15(18-4)12(3)9-13/h5-9,11,17H,10H2,1-4H3.
What are the key properties of N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).