1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine

C16H18N2 — CID 79978828

IUPAC1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CNCc2ccc(C3CC3)cc2)c1
InChIInChI=1S/C16H18N2/c1-2-14(11-17-9-1)12-18-10-13-3-5-15(6-4-13)16-7-8-16/h1-6,9,11,16,18H,7-8,10,12H2
InChIKeyZOEWACPCMSGJFK-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine

1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 79978828) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID79978828
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
SMILESc1cncc(CNCc2ccc(C3CC3)cc2)c1
InChIInChI=1S/C16H18N2/c1-2-14(11-17-9-1)12-18-10-13-3-5-15(6-4-13)16-7-8-16/h1-6,9,11,16,18H,7-8,10,12H2
InChIKeyZOEWACPCMSGJFK-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-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214
N,N-diethyl-4-[(pyridin-3-ylmethylamino)methyl]aniline
CID 1075944
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 115757833
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62559365
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine (CID 79978828) is 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine is c1cncc(CNCc2ccc(C3CC3)cc2)c1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is ZOEWACPCMSGJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-14(11-17-9-1)12-18-10-13-3-5-15(6-4-13)16-7-8-16/h1-6,9,11,16,18H,7-8,10,12H2.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine?
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)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-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 79978828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).