2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine

C18H24N2O — CID 43181232

IUPAC2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(CNCC(c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C18H24N2O/c1-15-6-8-16(9-7-15)13-19-14-17(18-5-4-12-21-18)20-10-2-3-11-20/h4-9,12,17,19H,2-3,10-11,13-14H2,1H3
InChIKeyNAXVSHSWCVPTTN-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.51
Rot. Bonds6

About 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine

2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 43181232) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID43181232
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESCc1ccc(CNCC(c2ccco2)N2CCCC2)cc1
InChIInChI=1S/C18H24N2O/c1-15-6-8-16(9-7-15)13-19-14-17(18-5-4-12-21-18)20-10-2-3-11-20/h4-9,12,17,19H,2-3,10-11,13-14H2,1H3
InChIKeyNAXVSHSWCVPTTN-UHFFFAOYSA-N
XLogP3.51
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenol
CID 43181226
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
N-[(4-ethoxyphenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 78805253
4-[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methyl]benzoic acid
CID 122030017
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 43181246
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
(2R)-2-(furan-2-yl)-N-[(3-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 51627380
(2R)-2-(furan-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 93257792
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 64539505

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine (CID 43181232) is 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine is Cc1ccc(CNCC(c2ccco2)N2CCCC2)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is NAXVSHSWCVPTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15-6-8-16(9-7-15)13-19-14-17(18-5-4-12-21-18)20-10-2-3-11-20/h4-9,12,17,19H,2-3,10-11,13-14H2,1H3.
What are the key properties of 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine?
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 43181232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).