[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine

C16H20N2O — CID 43351770

IUPAC[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
SMILESCC(C)(C)c1cccc(Oc2ncccc2CN)c1
InChIInChI=1S/C16H20N2O/c1-16(2,3)13-7-4-8-14(10-13)19-15-12(11-17)6-5-9-18-15/h4-10H,11,17H2,1-3H3
InChIKeyNDWGVJAQNROTGR-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.63
Rot. Bonds3

About [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine

[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine (PubChem CID 43351770) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
PubChem CID43351770
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine
SMILESCC(C)(C)c1cccc(Oc2ncccc2CN)c1
InChIInChI=1S/C16H20N2O/c1-16(2,3)13-7-4-8-14(10-13)19-15-12(11-17)6-5-9-18-15/h4-10H,11,17H2,1-3H3
InChIKeyNDWGVJAQNROTGR-UHFFFAOYSA-N
XLogP3.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-tert-butylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107056042
[2-(3-ethylphenoxy)-3-pyridinyl]methanamine
CID 24706317
2-(3-tert-butylphenoxy)pyridine-3-sulfonamide
CID 115928484
[2-[(3-tert-butylphenoxy)methyl]phenyl]methanamine
CID 43169662
[2-(3-tert-butylphenoxy)-5-chloro-4-pyridinyl]methanamine
CID 114928474
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
N-(pyridin-2-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42595092
[2-(4-methylsulfonylphenoxy)-3-pyridinyl]methanamine
CID 43806809
3-[(3-tert-butylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074328
2-amino-2,3-dimethyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 56741357
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038

Frequently Asked Questions

What is the IUPAC name of [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine (CID 43351770) is [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine is CC(C)(C)c1cccc(Oc2ncccc2CN)c1.
What is the InChIKey of [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine?
The InChIKey is NDWGVJAQNROTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,3)13-7-4-8-14(10-13)19-15-12(11-17)6-5-9-18-15/h4-10H,11,17H2,1-3H3.
What are the key properties of [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine?
[2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-tert-butylphenoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 43351770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).