(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine

C16H19NO — CID 114604613

IUPAC(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H19NO/c1-11-15(8-9-18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,16H,2,4-5,17H2,1H3
InChIKeyJHFAIRDHIRITOM-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.90
Rot. Bonds3

About (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine

(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine (PubChem CID 114604613) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
PubChem CID114604613
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H19NO/c1-11-15(8-9-18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,16H,2,4-5,17H2,1H3
InChIKeyJHFAIRDHIRITOM-UHFFFAOYSA-N
XLogP3.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine
CID 43464305
(3-cyclobutylphenyl)-(2-ethylphenyl)methanamine
CID 105053789
1-(3-cyclobutylphenyl)-2,2-dimethylpropan-1-amine
CID 114602608
(3-cyclobutylphenyl)-(3-methyl-2-pyridinyl)methanamine
CID 114602823
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(4-bromo-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053825
(5-bromofuran-2-yl)-(3-cyclobutylphenyl)methanamine
CID 105053761
(3-cyclobutylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105053790
[(2-chlorofuran-3-yl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 106694793
1-(2-chlorofuran-3-yl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 106693358
(3-cyclopropylphenyl)-phenylmethanamine;hydrochloride
CID 170919041
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine?
The IUPAC name of (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine (CID 114604613) is (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine?
The InChIKey is JHFAIRDHIRITOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-11-15(8-9-18-11)16(17)14-7-3-6-13(10-14)12-4-2-5-12/h3,6-10,12,16H,2,4-5,17H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine?
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114604613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).