N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine

C16H21NO — CID 106888028

IUPACN-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCCc1cccc(-c2ccc(CNCC)o2)c1
InChIInChI=1S/C16H21NO/c1-3-6-13-7-5-8-14(11-13)16-10-9-15(18-16)12-17-4-2/h5,7-11,17H,3-4,6,12H2,1-2H3
InChIKeyDAHIPWJRDJBGHC-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.01
Rot. Bonds6

About N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine

N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106888028) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106888028
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCCc1cccc(-c2ccc(CNCC)o2)c1
InChIInChI=1S/C16H21NO/c1-3-6-13-7-5-8-14(11-13)16-10-9-15(18-16)12-17-4-2/h5,7-11,17H,3-4,6,12H2,1-2H3
InChIKeyDAHIPWJRDJBGHC-UHFFFAOYSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
N-[[5-(3-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624804
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 4725254
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
CID 106887386
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
CID 116545338
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
CID 106888548
1-phenyl-3-propylbenzene
CID 4110465
N-[[5-(3-fluoro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887121
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine (CID 106888028) is N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine is CCCc1cccc(-c2ccc(CNCC)o2)c1.
What is the InChIKey of N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is DAHIPWJRDJBGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-6-13-7-5-8-14(11-13)16-10-9-15(18-16)12-17-4-2/h5,7-11,17H,3-4,6,12H2,1-2H3.
What are the key properties of N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106888028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).