N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline

C18H23NO2 — CID 43693687

IUPACN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(C3CC3C)o2)c1
InChIInChI=1S/C18H23NO2/c1-3-9-20-15-6-4-5-14(11-15)19-12-16-7-8-18(21-16)17-10-13(17)2/h4-8,11,13,17,19H,3,9-10,12H2,1-2H3
InChIKeyBDGJLBDEAYRSGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.80
Rot. Bonds7

About N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline

N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline (PubChem CID 43693687) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline
PubChem CID43693687
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(C3CC3C)o2)c1
InChIInChI=1S/C18H23NO2/c1-3-9-20-15-6-4-5-14(11-15)19-12-16-7-8-18(21-16)17-10-13(17)2/h4-8,11,13,17,19H,3,9-10,12H2,1-2H3
InChIKeyBDGJLBDEAYRSGY-UHFFFAOYSA-N
XLogP4.80
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(3-methylphenoxy)ethanamine
CID 60691668
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011
N-[(5-ethylthiophen-2-yl)methyl]-3-propoxyaniline
CID 62345185
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
N-(furan-3-ylmethyl)-3-propoxyaniline
CID 63204676
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline?
The IUPAC name of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline (CID 43693687) is N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline.
What is the SMILES notation for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline?
The canonical SMILES for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline is CCCOc1cccc(NCc2ccc(C3CC3C)o2)c1.
What is the InChIKey of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline?
The InChIKey is BDGJLBDEAYRSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-9-20-15-6-4-5-14(11-15)19-12-16-7-8-18(21-16)17-10-13(17)2/h4-8,11,13,17,19H,3,9-10,12H2,1-2H3.
What are the key properties of N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline?
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline has a molecular weight of 285.39 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-propoxyaniline is sourced from PubChem (CID 43693687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).