N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine

C18H25NO — CID 43685449

IUPACN-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(CCc1ccco1)NC(c1ccccc1)C(C)C
InChIInChI=1S/C18H25NO/c1-14(2)18(16-8-5-4-6-9-16)19-15(3)11-12-17-10-7-13-20-17/h4-10,13-15,18-19H,11-12H2,1-3H3
InChIKeyARXXVGKTIHVRSA-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.59
Rot. Bonds7

About N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine

N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 43685449) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
PubChem CID43685449
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(CCc1ccco1)NC(c1ccccc1)C(C)C
InChIInChI=1S/C18H25NO/c1-14(2)18(16-8-5-4-6-9-16)19-15(3)11-12-17-10-7-13-20-17/h4-10,13-15,18-19H,11-12H2,1-3H3
InChIKeyARXXVGKTIHVRSA-UHFFFAOYSA-N
XLogP4.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-[(1R)-1-(3-methylphenyl)ethyl]butan-2-amine
CID 81363511
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
2-N-[4-(furan-2-yl)butan-2-yl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54953465
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81352630
(2S)-2-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 31297357
N-[1-(3-chlorophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 43105060
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine (CID 43685449) is N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine is CC(CCc1ccco1)NC(c1ccccc1)C(C)C.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is ARXXVGKTIHVRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(2)18(16-8-5-4-6-9-16)19-15(3)11-12-17-10-7-13-20-17/h4-10,13-15,18-19H,11-12H2,1-3H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine?
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43685449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).