N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline

C15H19NO2 — CID 54864634

IUPACN-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccco1
InChIInChI=1S/C15H19NO2/c1-3-8-18-15-10-12(2)6-7-14(15)16-11-13-5-4-9-17-13/h4-7,9-10,16H,3,8,11H2,1-2H3
InChIKeyAIJOAPYLAUYEPV-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.99
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline

N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline (PubChem CID 54864634) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
PubChem CID54864634
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline
SMILESCCCOc1cc(C)ccc1NCc1ccco1
InChIInChI=1S/C15H19NO2/c1-3-8-18-15-10-12(2)6-7-14(15)16-11-13-5-4-9-17-13/h4-7,9-10,16H,3,8,11H2,1-2H3
InChIKeyAIJOAPYLAUYEPV-UHFFFAOYSA-N
XLogP3.99
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 62347253
1-N-(furan-2-ylmethyl)-4-methylbenzene-1,2-diamine
CID 43349415
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
N-[(2-ethylpyrazol-3-yl)methyl]-4-methyl-2-propoxyaniline
CID 115762790
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 102834473
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-propoxyaniline
CID 54864670
N-[(6-bromo-2-pyridinyl)methyl]-4-methyl-2-propoxyaniline
CID 115938149
N-[(4-bromo-3-methylphenyl)methyl]-4-methyl-2-propoxyaniline
CID 66472407
4-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butan-1-amine
CID 16614016
4-methyl-N-(2-phenylpropyl)-2-propoxyaniline
CID 63453079
2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline (CID 54864634) is N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline is CCCOc1cc(C)ccc1NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline?
The InChIKey is AIJOAPYLAUYEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-8-18-15-10-12(2)6-7-14(15)16-11-13-5-4-9-17-13/h4-7,9-10,16H,3,8,11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline?
N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline has a molecular weight of 245.32 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-2-propoxyaniline is sourced from PubChem (CID 54864634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).