1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine

C16H18N2 — CID 173207680

IUPAC1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine
SMILESc1ccc(-c2ccccc2CNCC2CC2)nc1
InChIInChI=1S/C16H18N2/c1-2-6-15(16-7-3-4-10-18-16)14(5-1)12-17-11-13-8-9-13/h1-7,10,13,17H,8-9,11-12H2
InChIKeyPKLNGFBRHDWMFQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.25
Rot. Bonds5

About 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine

1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine (PubChem CID 173207680) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine
PubChem CID173207680
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine
SMILESc1ccc(-c2ccccc2CNCC2CC2)nc1
InChIInChI=1S/C16H18N2/c1-2-6-15(16-7-3-4-10-18-16)14(5-1)12-17-11-13-8-9-13/h1-7,10,13,17H,8-9,11-12H2
InChIKeyPKLNGFBRHDWMFQ-UHFFFAOYSA-N
XLogP3.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(2-pyrimidin-2-ylphenyl)methyl]methanamine
CID 173207711
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2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
2-[(cyclopropylmethylamino)methyl]-N-methylaniline
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1-cyclobutyl-N-(quinolin-8-ylmethyl)methanamine
CID 43298300
2-(2-pyridin-2-ylphenyl)ethanamine
CID 22356817
2-(2-pyridin-2-ylphenyl)acetonitrile
CID 53446408
1-cyclohexyl-3-(2-pyridin-2-ylphenyl)propan-1-one
CID 72723755
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108
N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
CID 115625870
1-cyclopropyl-N-[[2-[4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]methanamine
CID 175937994
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine (CID 173207680) is 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine is c1ccc(-c2ccccc2CNCC2CC2)nc1.
What is the InChIKey of 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine?
The InChIKey is PKLNGFBRHDWMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-6-15(16-7-3-4-10-18-16)14(5-1)12-17-11-13-8-9-13/h1-7,10,13,17H,8-9,11-12H2.
What are the key properties of 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine?
1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2-pyridin-2-ylphenyl)methyl]methanamine is sourced from PubChem (CID 173207680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).