(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine

C14H18N2O — CID 81407154

IUPAC(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1ccc(C(C)N[C@H](C)c2cccnc2)o1
InChIInChI=1S/C14H18N2O/c1-10-6-7-14(17-10)12(3)16-11(2)13-5-4-8-15-9-13/h4-9,11-12,16H,1-3H3/t11-,12?/m1/s1
InChIKeyIXMJJJFFZPRNGK-JHJMLUEUSA-N
MW230.31 g/mol
LogP3.39
Rot. Bonds4

About (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine

(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 81407154) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID81407154
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1ccc(C(C)N[C@H](C)c2cccnc2)o1
InChIInChI=1S/C14H18N2O/c1-10-6-7-14(17-10)12(3)16-11(2)13-5-4-8-15-9-13/h4-9,11-12,16H,1-3H3/t11-,12?/m1/s1
InChIKeyIXMJJJFFZPRNGK-JHJMLUEUSA-N
XLogP3.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
(1R)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81407144
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81402901
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81393232
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
(1R)-N-[1-(3-methylpyrazin-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 102613225
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine (CID 81407154) is (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine is Cc1ccc(C(C)N[C@H](C)c2cccnc2)o1.
What is the InChIKey of (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is IXMJJJFFZPRNGK-JHJMLUEUSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-6-7-14(17-10)12(3)16-11(2)13-5-4-8-15-9-13/h4-9,11-12,16H,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine?
(1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 230.31 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(5-methylfuran-2-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81407154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).