(1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine

C16H21N3 — CID 126448583

IUPAC(1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine
SMILESC[C@@H](c1ccc(-c2ncccc2CN)cc1)N(C)C
InChIInChI=1S/C16H21N3/c1-12(19(2)3)13-6-8-14(9-7-13)16-15(11-17)5-4-10-18-16/h4-10,12H,11,17H2,1-3H3/t12-/m0/s1
InChIKeyXQWAZXXVVBVIBX-LBPRGKRZSA-N
MW255.36 g/mol
LogP2.83
Rot. Bonds4

About (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine

(1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine (PubChem CID 126448583) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine
PubChem CID126448583
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name(1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine
SMILESC[C@@H](c1ccc(-c2ncccc2CN)cc1)N(C)C
InChIInChI=1S/C16H21N3/c1-12(19(2)3)13-6-8-14(9-7-13)16-15(11-17)5-4-10-18-16/h4-10,12H,11,17H2,1-3H3/t12-/m0/s1
InChIKeyXQWAZXXVVBVIBX-LBPRGKRZSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-propan-2-yloxyphenyl)-3-pyridinyl]methanamine
CID 117001852
[4-[3-(aminomethyl)-2-pyridinyl]phenyl]methanol
CID 110282157
[2-(3,4-dimethylphenyl)-3-pyridinyl]methanamine
CID 82508499
[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride
CID 154904675
(2-pyridin-3-yl-3-pyridinyl)methanamine
CID 19005903
[2-(3,5-difluorophenyl)-3-pyridinyl]methanamine
CID 110282116
2-[5-[3-(aminomethyl)-2-pyridinyl]-2-pyridinyl]propan-2-ol
CID 175948471
[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
[2-(3-methylbutylsulfanyl)-3-pyridinyl]methanamine
CID 107752122
[2-(1-tert-butylpyrazol-4-yl)-3-pyridinyl]methanamine
CID 175875458
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62980697
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 43295307

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine (CID 126448583) is (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine is C[C@@H](c1ccc(-c2ncccc2CN)cc1)N(C)C.
What is the InChIKey of (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine?
The InChIKey is XQWAZXXVVBVIBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(19(2)3)13-6-8-14(9-7-13)16-15(11-17)5-4-10-18-16/h4-10,12H,11,17H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine?
(1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[3-(aminomethyl)-2-pyridinyl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 126448583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).