N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine

C17H20N2 — CID 79979049

IUPACN-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1ccc(C2CC2)cc1)c1cccnc1
InChIInChI=1S/C17H20N2/c1-13(17-3-2-10-18-12-17)19-11-14-4-6-15(7-5-14)16-8-9-16/h2-7,10,12-13,16,19H,8-9,11H2,1H3
InChIKeyDHLUWIJGGXIMAH-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.81
Rot. Bonds5

About N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine

N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 79979049) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
PubChem CID79979049
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
SMILESCC(NCc1ccc(C2CC2)cc1)c1cccnc1
InChIInChI=1S/C17H20N2/c1-13(17-3-2-10-18-12-17)19-11-14-4-6-15(7-5-14)16-8-9-16/h2-7,10,12-13,16,19H,8-9,11H2,1H3
InChIKeyDHLUWIJGGXIMAH-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
(1R)-N-[[4-(difluoromethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 115524164
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-pyridin-3-ylethanamine
CID 79032772
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
4-[(1-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62216414
N,N-diethyl-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]aniline
CID 28655943
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine (CID 79979049) is N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine is CC(NCc1ccc(C2CC2)cc1)c1cccnc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is DHLUWIJGGXIMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13(17-3-2-10-18-12-17)19-11-14-4-6-15(7-5-14)16-8-9-16/h2-7,10,12-13,16,19H,8-9,11H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine?
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 79979049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).