4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine

C18H25NO2 — CID 43769805

IUPAC4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCC(CCc1ccco1)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-14(2)21-18-10-7-16(8-11-18)13-19-15(3)6-9-17-5-4-12-20-17/h4-5,7-8,10-12,14-15,19H,6,9,13H2,1-3H3
InChIKeyYYLKPIVWVHQCGU-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.18
Rot. Bonds8

About 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine

4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine (PubChem CID 43769805) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
PubChem CID43769805
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCC(CCc1ccco1)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-14(2)21-18-10-7-16(8-11-18)13-19-15(3)6-9-17-5-4-12-20-17/h4-5,7-8,10-12,14-15,19H,6,9,13H2,1-3H3
InChIKeyYYLKPIVWVHQCGU-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
2-[4-[[4-(furan-2-yl)butan-2-ylamino]methyl]phenyl]acetic acid
CID 103246843
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
N-ethyl-3-(furan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144630
4-(furan-2-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
CID 43182405
N-[(3-fluoro-4-methylphenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55245951
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
N-[[3-(difluoromethyl)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 115526047
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
N-[(5-bromothiophen-3-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43431981
N-(furan-2-ylmethyl)-4-phenylbutan-2-amine
CID 3156796

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine (CID 43769805) is 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine is CC(CCc1ccco1)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The InChIKey is YYLKPIVWVHQCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)21-18-10-7-16(8-11-18)13-19-15(3)6-9-17-5-4-12-20-17/h4-5,7-8,10-12,14-15,19H,6,9,13H2,1-3H3.
What are the key properties of 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine?
4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine has a molecular weight of 287.40 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 43769805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).