N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine

C16H21N3 — CID 164958671

IUPACN-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine
SMILESCCc1cncc(-c2ccccc2CNC(C)C)n1
InChIInChI=1S/C16H21N3/c1-4-14-10-17-11-16(19-14)15-8-6-5-7-13(15)9-18-12(2)3/h5-8,10-12,18H,4,9H2,1-3H3
InChIKeyZEGDKOCVTJCINQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.20
Rot. Bonds5

About N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine

N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine (PubChem CID 164958671) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine
PubChem CID164958671
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine
SMILESCCc1cncc(-c2ccccc2CNC(C)C)n1
InChIInChI=1S/C16H21N3/c1-4-14-10-17-11-16(19-14)15-8-6-5-7-13(15)9-18-12(2)3/h5-8,10-12,18H,4,9H2,1-3H3
InChIKeyZEGDKOCVTJCINQ-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645083
[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol
CID 164739246
N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
CID 54910961
N-[(2-naphthalen-2-ylphenyl)methyl]propan-2-amine
CID 63424194
N-[[2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66010129
N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646431
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[(2-methyl-6-phenyl-3-pyridinyl)methyl]propan-2-amine
CID 82452414
N-ethyl-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 66456595
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
5-[2-[(propan-2-ylamino)methyl]phenyl]thiophene-2-carbonitrile
CID 55030208
(1R)-N-[(2-ethylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 81406474

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine (CID 164958671) is N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine is CCc1cncc(-c2ccccc2CNC(C)C)n1.
What is the InChIKey of N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine?
The InChIKey is ZEGDKOCVTJCINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-14-10-17-11-16(19-14)15-8-6-5-7-13(15)9-18-12(2)3/h5-8,10-12,18H,4,9H2,1-3H3.
What are the key properties of N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine?
N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-ethylpyrazin-2-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 164958671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).