1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine

C14H17NO — CID 104789711

IUPAC1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine
SMILESCc1occc1C(N)CCc1ccccc1
InChIInChI=1S/C14H17NO/c1-11-13(9-10-16-11)14(15)8-7-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,15H2,1H3
InChIKeyOXFKXMYBRPYYJR-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine

1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine (PubChem CID 104789711) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine
PubChem CID104789711
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine
SMILESCc1occc1C(N)CCc1ccccc1
InChIInChI=1S/C14H17NO/c1-11-13(9-10-16-11)14(15)8-7-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,15H2,1H3
InChIKeyOXFKXMYBRPYYJR-UHFFFAOYSA-N
XLogP3.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylfuran-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 104789822
1-(2-methylfuran-3-yl)butan-1-amine
CID 82416832
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 114918169
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
1-(3-methylfuran-2-yl)-2-phenylethanamine
CID 61078451
(2S)-4-phenylbutan-2-amine
CID 6994564
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-phenylpropan-1-amine
CID 104983433
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
CID 54088425

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine (CID 104789711) is 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine is Cc1occc1C(N)CCc1ccccc1.
What is the InChIKey of 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine?
The InChIKey is OXFKXMYBRPYYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-13(9-10-16-11)14(15)8-7-12-5-3-2-4-6-12/h2-6,9-10,14H,7-8,15H2,1H3.
What are the key properties of 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine?
1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 104789711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).