N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine

C17H20N2 — CID 79889626

IUPACN-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(CCNCc2ccccc2C2CC2)nc1
InChIInChI=1S/C17H20N2/c1-2-7-17(14-8-9-14)15(5-1)13-18-12-10-16-6-3-4-11-19-16/h1-7,11,14,18H,8-10,12-13H2
InChIKeyAOWDBVBCQRWCFR-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.29
Rot. Bonds6

About N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine

N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 79889626) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID79889626
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESc1ccc(CCNCc2ccccc2C2CC2)nc1
InChIInChI=1S/C17H20N2/c1-2-7-17(14-8-9-14)15(5-1)13-18-12-10-16-6-3-4-11-19-16/h1-7,11,14,18H,8-10,12-13H2
InChIKeyAOWDBVBCQRWCFR-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
CID 55127965
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
CID 15544455
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79889646
N-[(2-cyclopropylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491475
N-[(2-cyclopropylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79889119
N-(2-pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43193645
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine (CID 79889626) is N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine is c1ccc(CCNCc2ccccc2C2CC2)nc1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is AOWDBVBCQRWCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-7-17(14-8-9-14)15(5-1)13-18-12-10-16-6-3-4-11-19-16/h1-7,11,14,18H,8-10,12-13H2.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 79889626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).