6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine

C16H21N3 — CID 83122827

IUPAC6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
SMILESCc1cccc(CN(C)c2ccc([C@@H](C)N)nc2)c1
InChIInChI=1S/C16H21N3/c1-12-5-4-6-14(9-12)11-19(3)15-7-8-16(13(2)17)18-10-15/h4-10,13H,11,17H2,1-3H3/t13-/m1/s1
InChIKeyJDVISKFIWAPTQS-CYBMUJFWSA-N
MW255.37 g/mol
LogP3.05
Rot. Bonds4

About 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine

6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine (PubChem CID 83122827) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
PubChem CID83122827
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
SMILESCc1cccc(CN(C)c2ccc([C@@H](C)N)nc2)c1
InChIInChI=1S/C16H21N3/c1-12-5-4-6-14(9-12)11-19(3)15-7-8-16(13(2)17)18-10-15/h4-10,13H,11,17H2,1-3H3/t13-/m1/s1
InChIKeyJDVISKFIWAPTQS-CYBMUJFWSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1S)-1-aminopropyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 103937054
N-methyl-6-[1-(methylamino)ethyl]-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 83122660
6-(1-aminoethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 83121898
6-[(1S)-1-aminoethyl]-N-[(4-fluorophenyl)methyl]-N-methylpyridin-3-amine
CID 83122237
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075
6-[(1S)-1-aminoethyl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridin-3-amine
CID 83127064
(1S)-1-[5-[methyl-[(4-methylphenyl)methyl]amino]-2-pyridinyl]ethanol
CID 83132028
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83004680
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479
6-(1-aminoethyl)-N-methyl-N-(3-methylbutyl)pyridin-3-amine
CID 83122832
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
6-(1-aminoethyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 83122822

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine (CID 83122827) is 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine is Cc1cccc(CN(C)c2ccc([C@@H](C)N)nc2)c1.
What is the InChIKey of 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine?
The InChIKey is JDVISKFIWAPTQS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-5-4-6-14(9-12)11-19(3)15-7-8-16(13(2)17)18-10-15/h4-10,13H,11,17H2,1-3H3/t13-/m1/s1.
What are the key properties of 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine?
6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine has a molecular weight of 255.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-aminoethyl]-N-methyl-N-[(3-methylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 83122827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).